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Introduction to Fragment-Based Drug Discovery
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Outgoing claims: the papers this work cites, builds on, or argues with.
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The art and practice of structure-based drug design: A molecular modeling perspective
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Characterization of Ligand Binding by Saturation Transfer Difference NMR Spectroscopy
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Fragment‐based Approaches in Drug Discovery
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SAR by ILOEs: An NMR‐Based Approach to Reverse Chemical Genetics
inferredcites →https://doi.org/10.1002/cmdc.200900011openalex-snapshot
Fragment‐based Identification of Hsp90 Inhibitors
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Fragment‐Based Drug Discovery: A Practical Approach. Edited by Edward R. Zartler and Michael J. Shapiro.
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Thermodynamic Optimisation in Drug Discovery: A Case Study using Carbonic Anhydrase Inhibitors
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Grading the commercial optical biosensor literature—Class of 2008: ‘The Mighty Binders’
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Comment on: Rich and Myszka, Grading the commercial optical biosensor literature—Class of 2008: ‘The Mighty Binders’. J. Mol. Recognit . 2010, 23 , 1–64.
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Fragment Screening Using X-Ray Crystallography
inferredcites →https://doi.org/10.1007/128_2011_183openalex-snapshot
Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors
inferredcites →https://doi.org/10.1007/128_2011_225openalex-snapshot
Combining Biophysical Screening and X-Ray Crystallography for Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.1007/128_2011_232openalex-snapshot
Fragment Screening and HIV Therapeutics
inferredcites →https://doi.org/10.1007/s00216-008-2477-yopenalex-snapshot
Direct optical detection in fragment-based screening
inferredcites →https://doi.org/10.1007/s10822-009-9284-1openalex-snapshot
The multiple roles of computational chemistry in fragment-based drug design
inferredcites →https://doi.org/10.1016/j.ab.2010.03.042openalex-snapshot
Algorithms for the automated selection of fragment-like molecules using single-point surface plasmon resonance measurements
inferredcites →https://doi.org/10.1016/j.ab.2010.03.043openalex-snapshot
Kinetic analysis and fragment screening with Fujifilm AP-3000
inferredcites →https://doi.org/10.1016/j.bmcl.2003.12.014openalex-snapshot
Mechanism of action of pyridazine analogues on protein tyrosine phosphatase 1B (PTP1B)
inferredcites →https://doi.org/10.1016/j.bmcl.2008.11.021openalex-snapshot
Antibacterial alkoxybenzamide inhibitors of the essential bacterial cell division protein FtsZ
inferredcites →https://doi.org/10.1016/j.cbpa.2004.04.003openalex-snapshot
Pursuing the leadlikeness concept in pharmaceutical research
inferredcites →https://doi.org/10.1016/j.cbpa.2007.07.010openalex-snapshot
Fragment-based screening using X-ray crystallography and NMR spectroscopy
inferredcites →https://doi.org/10.1016/j.cbpa.2010.02.010openalex-snapshot
Drugging challenging targets using fragment-based approaches
inferredcites →https://doi.org/10.1016/j.chembiol.2004.12.004openalex-snapshot
TINS, Target Immobilized NMR Screening: An Efficient and Sensitive Method for Ligand Discovery
inferredcites →https://doi.org/10.1016/j.chembiol.2010.06.011openalex-snapshot
Application of Fragment-Based Drug Discovery to Membrane Proteins: Identification of Ligands of the Integral Membrane Enzyme DsbB
inferredcites →https://doi.org/10.1016/j.copbio.2006.10.007openalex-snapshot
Fragment-based lead discovery: a chemical update
inferredcites →https://doi.org/10.1016/j.copbio.2007.09.003openalex-snapshot
Fragment-based approaches to enzyme inhibition
inferredcites →https://doi.org/10.1016/j.coph.2009.04.009openalex-snapshot
Recent progress in fragment-based lead discovery
inferredcites →https://doi.org/10.1016/j.drudis.2006.05.014openalex-snapshot
Screening in a spirit haunted world
inferredcites →https://doi.org/10.1016/j.drudis.2008.06.006openalex-snapshot
Limitations and lessons in the use of X-ray structural information in drug design
inferredcites →https://doi.org/10.1016/j.drudis.2008.10.006openalex-snapshot
Two ‘Golden Ratio’ indices in fragment-based drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2008.11.007openalex-snapshot
Ligand efficiency and fragment-based drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2008.12.002openalex-snapshot
Kinase-targeted libraries: The design and synthesis of novel, potent, and selective kinase inhibitors
inferredcites →https://doi.org/10.1016/j.drudis.2009.03.009openalex-snapshot
Transforming fragments into candidates: small becomes big in medicinal chemistry
inferredcites →https://doi.org/10.1016/j.drudis.2009.04.007openalex-snapshot
From fragment to clinical candidate—a historical perspective
inferredcites →https://doi.org/10.1016/j.drudis.2009.05.011openalex-snapshot
Picking up the pieces with FBDD or FADD: invest early for future success
inferredcites →https://doi.org/10.1016/j.drudis.2009.07.013openalex-snapshot
NMR methods in fragment screening: theory and a comparison with other biophysical techniques
inferredcites →https://doi.org/10.1016/j.sbi.2010.04.003openalex-snapshot
Structural biology in fragment-based drug design
inferredcites →https://doi.org/10.1016/s0960-894x(03)00623-1openalex-snapshot
Identification of a novel class of orally active pyrimido[5,4-3][1,2,4]triazine-5,7-diamine-based hypoglycemic agents with protein tyrosine phosphatase inhibitory activity
inferredcites →https://doi.org/10.1016/s1359-6446(03)02831-9openalex-snapshot
A ‘Rule of Three’ for fragment-based lead discovery?
inferredcites →https://doi.org/10.1016/s1359-6446(04)03069-7openalex-snapshot
Ligand efficiency: a useful metric for lead selection
inferredcites →https://doi.org/10.1016/s1359-6446(05)03386-6openalex-snapshot
Ligand efficiency indices as guideposts for drug discovery
inferredcites →https://doi.org/10.1016/s1359644602025722openalex-snapshot
Nonleadlikeness and leadlikeness in biochemical screening
inferredcites →https://doi.org/10.1021/bi901061aopenalex-snapshot
Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
inferredcites →https://doi.org/10.1021/cb800162xopenalex-snapshot
A Novel Class of Small Molecule Inhibitors of Hsp90
inferredcites →https://doi.org/10.1021/ci000403iopenalex-snapshot
Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery
inferredcites →https://doi.org/10.1021/ci600423uopenalex-snapshot
Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F: Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug Discovery
inferredcites →https://doi.org/10.1021/ja100595uopenalex-snapshot
Optimization of the Interligand Overhauser Effect for Fragment Linking: Application to Inhibitor Discovery against Mycobacterium tuberculosis Pantothenate Synthetase
inferredcites →https://doi.org/10.1021/ja9702778openalex-snapshot
Discovery of Potent Nonpeptide Inhibitors of Stromelysin Using SAR by NMR
inferredcites →https://doi.org/10.1021/jm00067a013openalex-snapshot
Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase
inferredcites →https://doi.org/10.1021/jm010533yopenalex-snapshot
A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening
inferredcites →https://doi.org/10.1021/jm020160gopenalex-snapshot
NMR-Based Modification of Matrix Metalloproteinase Inhibitors with Improved Bioavailability
inferredcites →https://doi.org/10.1021/jm030191ropenalex-snapshot
Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs
inferredcites →https://doi.org/10.1021/jm0507532openalex-snapshot
Discovery of a Potent Inhibitor of the Antiapoptotic Protein Bcl-x L from NMR and Parallel Synthesis
inferredcites →https://doi.org/10.1021/jm050754uopenalex-snapshot
Discovery and Structure−Activity Relationship of Antagonists of B-Cell Lymphoma 2 Family Proteins with Chemopotentiation Activity in Vitro and in Vivo
inferredcites →https://doi.org/10.1021/jm060511hopenalex-snapshot
Fragment-Based Drug Design: How Big Is Too Big?
inferredcites →https://doi.org/10.1021/jm061152topenalex-snapshot
Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL
inferredcites →https://doi.org/10.1021/jm100059dopenalex-snapshot
Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency
inferredcites →https://doi.org/10.1021/jm100060bopenalex-snapshot
Discovery of (2,4-Dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design
inferredcites →https://doi.org/10.1021/jm701018hopenalex-snapshot
4,5-Diarylisoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer
inferredcites →https://doi.org/10.1021/jm701500eopenalex-snapshot
Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase
inferredcites →https://doi.org/10.1021/jm8000373openalex-snapshot
Recent Developments in Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.1021/jm800382hopenalex-snapshot
Identification of N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
inferredcites →https://doi.org/10.1021/jm800669sopenalex-snapshot
Discovery of an Orally Bioavailable Small Molecule Inhibitor of Prosurvival B-Cell Lymphoma 2 Proteins
inferredcites →https://doi.org/10.1021/jm800984vopenalex-snapshot
Fragment-Based Discovery of the Pyrazol-4-yl Urea (AT9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity
inferredcites →https://doi.org/10.1021/jm8016464openalex-snapshot
Structural Artifacts in Protein−Ligand X-ray Structures: Implications for the Development of Docking Scoring Functions
inferredcites →https://doi.org/10.1021/jm900259hopenalex-snapshot
Discovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography
inferredcites →https://doi.org/10.1021/jm900357yopenalex-snapshot
Combining Hit Identification Strategies: Fragment-Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-d]pyrimidine Inhibitors of the Hsp90 Molecular Chaperone
inferredcites →https://doi.org/10.1021/jm900414xopenalex-snapshot
One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening
inferredcites →https://doi.org/10.1021/jm900838gopenalex-snapshot
Discovery of 4-[(2S)-2-{[4-(4-Chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic Acid (DG-051) as a Novel Leukotriene A4 Hydrolase Inhibitor of Leukotriene B4 Biosynthesis
inferredcites →https://doi.org/10.1021/jm9009229openalex-snapshot
Divergent Modes of Enzyme Inhibition in a Homologous Structure−Activity Series
inferredcites →https://doi.org/10.1021/jm901137jopenalex-snapshot
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
inferredcites →https://doi.org/10.1021/jm990496zopenalex-snapshot
Structure−Activity Relationship Studies on 1-[2-(4-Phenylphenoxy)ethyl]pyrrolidine (SC-22716), a Potent Inhibitor of Leukotriene A4 (LTA4) Hydrolase
inferredcites →https://doi.org/10.1021/ml900002kopenalex-snapshot
Fragment Screening by Surface Plasmon Resonance
inferredcites →https://doi.org/10.1038/80319openalex-snapshot
Discovering novel ligands for macromolecules using X-ray crystallographic screening
inferredcites →https://doi.org/10.1038/nature03579openalex-snapshot
An inhibitor of Bcl-2 family proteins induces regression of solid tumours
inferredcites →https://doi.org/10.1038/nature06526openalex-snapshot
Reaching for high-hanging fruit in drug discovery at protein–protein interfaces
inferredcites →https://doi.org/10.1038/nature09454openalex-snapshot
Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma
inferredcites →https://doi.org/10.1038/nchem.217openalex-snapshot
The rise of fragment-based drug discovery
inferredcites →https://doi.org/10.1038/nchembio.163openalex-snapshot
Impact of linker strain and flexibility in the design of a fragment-based inhibitor
inferredcites →https://doi.org/10.1038/nprot.2006.77openalex-snapshot
A detergent-based assay for the detection of promiscuous inhibitors
inferredcites →https://doi.org/10.1038/nrd2220openalex-snapshot
A decade of fragment-based drug design: strategic advances and lessons learned
inferredcites →https://doi.org/10.1038/nrd2606openalex-snapshot
Perspectives on NMR in drug discovery: a technique comes of age
inferredcites →https://doi.org/10.1038/nrd2796openalex-snapshot
The influence of lead discovery strategies on the properties of drug candidates
inferredcites →https://doi.org/10.1038/nrd3054openalex-snapshot
Adding calorimetric data to decision making in lead discovery: a hot tip
inferredcites →https://doi.org/10.1056/nejmoa1002011openalex-snapshot
Inhibition of Mutated, Activated BRAF in Metastatic Melanoma
inferredcites →https://doi.org/10.1073/pnas.0603460103openalex-snapshot
Structure–activity relationships by interligand NOE-based design and synthesis of antiapoptotic compounds targeting Bid
inferredcites →https://doi.org/10.1073/pnas.0711741105openalex-snapshot
Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
inferredcites →https://doi.org/10.1073/pnas.0811325106openalex-snapshot
Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
inferredcites →https://doi.org/10.1073/pnas.0813029106openalex-snapshot
Docking for fragment inhibitors of AmpC β-lactamase
inferredcites →https://doi.org/10.1073/pnas.78.7.4046openalex-snapshot
On the attribution and additivity of binding energies
inferredcites →https://doi.org/10.1073/pnas.96.18.9997openalex-snapshot
The maximal affinity of ligands
inferredcites →https://doi.org/10.1073/pnas.97.17.9367openalex-snapshot
Site-directed ligand discovery
inferredcites →https://doi.org/10.1089/adt.2008.151openalex-snapshot
Development of a 384-Well Colorimetric Assay to Quantify Hydrogen Peroxide Generated by the Redox Cycling of Compounds in the Presence of Reducing Agents
inferredcites →https://doi.org/10.1089/adt.2009.0247openalex-snapshot
Profiling the NIH Small Molecule Repository for Compounds That Generate H 2 O 2 by Redox Cycling in Reducing Environments
inferredcites →https://doi.org/10.1111/j.1582-4934.2008.00665.xopenalex-snapshot
Docking, virtual high throughput screening and in silico fragment‐based drug design
inferredcites →https://doi.org/10.1111/j.1747-0285.2007.00535.xopenalex-snapshot
Discovery and Design of Novel HSP90 Inhibitors Using Multiple Fragment‐based Design Strategies
inferredcites →https://doi.org/10.1126/science.1159961openalex-snapshot
An Inhibitor of FtsZ with Potent and Selective Anti-Staphylococcal Activity
inferredcites →https://doi.org/10.1126/science.274.5292.1531openalex-snapshot
Discovering High-Affinity Ligands for Proteins: SAR by NMR
inferredcites →https://doi.org/10.1146/annurev.biophys.33.110502.140409openalex-snapshot
Tethering: Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.1177/1087057107304113openalex-snapshot
A Simple Assay for Detection of Small-Molecule Redox Activity
inferredcites →https://doi.org/10.1177/1087057109332595openalex-snapshot
Fragment-Based Screening Using Surface Plasmon Resonance Technology
inferredcites →https://doi.org/10.1177/1087057110375614openalex-snapshot
Target Immobilization as a Strategy for NMR-Based Fragment Screening: Comparison of TINS, STD, and SPR for Fragment Hit Identification
inferredcites →https://doi.org/10.1517/14728222.8.6.597openalex-snapshot
NMR-based techniques in the hit identification and optimisation processes
inferredcites →https://doi.org/10.1517/17460441.1.3.225openalex-snapshot
Fragment screening by biochemical assay
inferredcites →https://doi.org/10.2165/00126839-200809040-00002openalex-snapshot
Fragment-Based Approach to Drug??Lead Discovery
inferredcites →https://doi.org/10.2174/092986710791111224openalex-snapshot
Contributions of Computational Chemistry and Biophysical Techniques to Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.2174/138161206778743619openalex-snapshot
Protein NMR-Based Screening in Drug Discovery
inferredcites →https://doi.org/10.2174/138620709789104915openalex-snapshot
Label-Free Detection of Biomolecular Interactions Using BioLayer Interferometry for Kinetic Characterization
inferredcites →https://doi.org/10.2174/1568026043388015openalex-snapshot
The Evolution of the Matrix Metalloproteinase Inhibitor Drug Discovery Program at Abbott Laboratories
inferredcites →https://doi.org/10.2174/156802607782341055openalex-snapshot
Practical Aspects of NMR-based Fragment Discovery
inferredcites →https://doi.org/10.2174/156802607782341073openalex-snapshot
SPR-based Fragment Screening: Advantages and Applications
inferredcites →https://doi.org/10.2174/156802607782341091openalex-snapshot
An Integrated Approach to Fragment-Based Lead Generation:Philosophy, Strategy and Case Studies from AstraZenecas Drug Discovery Programmes
inferredcites →https://doi.org/10.2174/156802607782341109openalex-snapshot
The SeeDs Approach: Integrating Fragments into Drug Discovery
inferredcites →https://doi.org/10.2210/pdb2ye9/pdbopenalex-snapshot
HSP90 inhibitors and drugs from fragment and virtual screening
inferredcites →https://doi.org/10.4155/fmc.09.141openalex-snapshot
Native Ms: An ‘Esi’ Way to Support Structure- and Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.4155/fmc.10.237openalex-snapshot
Observations on Screening-Based Research and Some Concerning Trends in the Literature
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Overview of Probing Protein‐Ligand Interactions Using NMR
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Impact of Recently Determined Crystallographic Structures of GPCRs on Drug Discovery
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Theoretical Considerations of the Application of DNA‐Encoded Libraries to Drug Discovery
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Dual‐Pharmacophore DNA‐Encoded Chemical Libraries
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Applications of Ligand and Protein‐Observed NMR in Ligand Discovery
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Applying Biophysical and Biochemical Methods to the Discovery of Allosteric Modulators of the AAA ATPase p97
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Hybrids, Congeners, Mimics, and Constrained Variants Spanning 30 Years of Natural Products Chemistry: A Personal Retrospective
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Hit and Lead Identification from Fragments
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Fragment‐Based Lead Generation
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The Synthesis of Biophysical Methods In Support of Robust Fragment‐Based Lead Discovery
inferred← citeshttps://doi.org/10.1002/9783527683604.ch12openalex-snapshot
Fragment Screening in Complex Systems
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Discovery of Inhibitors of Protein–Protein Interactions Using Fragment‐Based Methods
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Organische Chemie für die fragmentbasierte Wirkstoffentwicklung (FBDD)
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Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9
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Fragmentverknüpfung und ‐optimierung von Hemmstoffen der Aspartylprotease Endothiapepsin: Fragmentbasiertes Wirkstoffdesign beschleunigt durch dynamische kombinatorische Chemie
inferred← citeshttps://doi.org/10.1002/anie.201506783openalex-snapshot
Opportunity Knocks: Organic Chemistry for Fragment‐Based Drug Discovery (FBDD)
inferred← citeshttps://doi.org/10.1002/anie.201511351openalex-snapshot
Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9
inferred← citeshttps://doi.org/10.1002/anie.201603074openalex-snapshot
Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment‐Based Drug Design Facilitated by Dynamic Combinatorial Chemistry
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Chemospecific Cyclizations of α‐Carbonyl Sulfoxonium Ylides on Aryls and Heteroaryls
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The HZB F2X‐Facility—An Efficient Crystallographic Fragment Screening Platform
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Tethered ribozyme ligation enables detection of molecular proximity in homogeneous solutions
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Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides
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19 F NMR‐Based Fragment Screening for 14 Different Biologically Active RNAs and 10 DNA and Protein Counter‐Screens
inferred← citeshttps://doi.org/10.1002/cbic.70540openalex-snapshot
NMR‐Guided Fragment Screening Identifies Privileged Noncanonical Amino Acids for mRNA Display
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Fragment‐Based Drug Design Facilitated by Protein‐Templated Click Chemistry: Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin
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Structure‐Based and Fragment‐Based GPCR Drug Discovery
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Merging Allosteric and Active Site Binding Motifs: De novo Generation of Target Selectivity and Potency via Natural‐Product‐Derived Fragments
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High‐Throughput Screening (HTS) by NMR Guided Identification of Novel Agents Targeting the Protein Docking Domain of YopH
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Impact of a Central Scaffold on the Binding Affinity of Fragment Pairs Isolated from DNA‐Encoded Self‐Assembling Chemical Libraries
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Proteome‐Wide Fragment‐Based Ligand and Target Discovery
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The role of intramolecular self‐destruction of reactive metabolic intermediates in determining toxicity
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Focused grid‐based resampling for protein docking and mapping
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Diversity of small molecule HIV‐1 latency reversing agents identified in low‐ and high‐throughput small molecule screens
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A fragment‐based approach to discovery of Receptor for Advanced Glycation End products inhibitors
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Crystal‐structures‐guided design of fragment‐based drugs for inhibiting the main protease of SARS‐CoV ‐2
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Search for relevant subsets of binary predictors in high dimensional regression for discovering the lead molecule
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Fragment Screening Using X-Ray Crystallography
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Targeting Protein–Protein Interactions and Fragment-Based Drug Discovery
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Fragment Screening by NMR
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Computational Methods for Fragment-Based Ligand Design: Growing and Linking
inferred← citeshttps://doi.org/10.1007/978-1-4939-2486-8_7openalex-snapshot
Site Identification by Ligand Competitive Saturation (SILCS) Simulations for Fragment-Based Drug Design
inferred← citeshttps://doi.org/10.1007/978-1-4939-7404-7_17openalex-snapshot
Computational Approaches for Therapeutic Application of Natural Products in Alzheimer’s Disease
inferred← citeshttps://doi.org/10.1007/978-1-62703-398-5_13openalex-snapshot
Biophysical Screening for the Discovery of Small-Molecule Ligands
inferred← citeshttps://doi.org/10.1007/978-3-030-05282-9_9openalex-snapshot
Structure-Based Drug Design with a Special Emphasis on Herbal Extracts
inferred← citeshttps://doi.org/10.1007/978-3-031-04998-9_12openalex-snapshot
Polypharmacology in Drug Design and Discovery—Basis for Rational Design of Multitarget Drugs
inferred← citeshttps://doi.org/10.1007/978-3-319-94968-0_17openalex-snapshot
Novel Inhibitors of T315I Mutant BCR-ABL1 Tyrosine Kinase for Chronic Myeloid Leukemia Disease Through Fragment-Based Drug Design
inferred← citeshttps://doi.org/10.1007/978-3-658-04124-3_1openalex-snapshot
Wege zu neuen Medikamenten gegen Infektionskrankheiten
inferred← citeshttps://doi.org/10.1007/978-981-19-1953-4_5openalex-snapshot
Emerging Role of Structural and Systems Biology in Anticancer Therapeutics
inferred← citeshttps://doi.org/10.1007/978-981-97-3405-4_6openalex-snapshot
Traditional Ethnomedicinal Plants: A Rich Source of Bioactive Molecules Used in Drug Discovery and Development
inferred← citeshttps://doi.org/10.1007/s00216-013-6931-0openalex-snapshot
NMR-based analysis of protein–ligand interactions
inferred← citeshttps://doi.org/10.1007/s00216-014-7834-4openalex-snapshot
Size does matter! Label-free detection of small molecule–protein interaction
inferred← citeshttps://doi.org/10.1007/s10822-014-9757-8openalex-snapshot
Ligand efficiency metrics considered harmful
inferred← citeshttps://doi.org/10.1007/s10822-014-9807-2openalex-snapshot
Identification of ligand efficient, fragment-like hits from an HTS library: structure-based virtual screening and docking investigations of 2H- and 3H-pyrazolo tautomers for Aurora kinase A selectivity
inferred← citeshttps://doi.org/10.1007/s10822-018-0160-8openalex-snapshot
In silico fragment-mapping method: a new tool for fragment-based/structure-based drug discovery
inferred← citeshttps://doi.org/10.1007/s10858-018-0190-5openalex-snapshot
Methyl group reorientation under ligand binding probed by pseudocontact shifts
inferred← citeshttps://doi.org/10.1007/s10858-020-00314-0openalex-snapshot
Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery
inferred← citeshttps://doi.org/10.1007/s11030-024-10979-6openalex-snapshot
Ligand and structure-based virtual screening approaches in drug discovery: minireview
inferred← citeshttps://doi.org/10.1007/s11030-025-11364-7openalex-snapshot
Targeting p53–MDM2 pathway with novel triazole–oxazole hybrids: a fragment-based drug discovery approach for next-generation cancer therapies
inferred← citeshttps://doi.org/10.1007/s12010-026-05888-3openalex-snapshot
Investigating the Osteoprotective Potential of Holoptelia integrefolia through Multitarget Modulation of Bone Metabolic Pathways
inferred← citeshttps://doi.org/10.1007/s12551-026-01429-8openalex-snapshot
Precision by design: Surface plasmon resonance and the integration of biophysics in fragment-based drug discovery
inferred← citeshttps://doi.org/10.1007/s13237-022-00405-3openalex-snapshot
Plant-derived natural products for drug discovery: current approaches and prospects
inferred← citeshttps://doi.org/10.1007/s42514-021-00086-5openalex-snapshot
Molecular docking-based computational platform for high-throughput virtual screening
inferred← citeshttps://doi.org/10.1016/b978-0-08-099420-8.00004-3openalex-snapshot
Step IIIb: The Drug-Like Chemical Diversity Pool: Diverse and Targeted Compound Collections
inferred← citeshttps://doi.org/10.1016/b978-0-12-382030-3.00002-7openalex-snapshot
Lead Discovery and Lead Modification
inferred← citeshttps://doi.org/10.1016/b978-0-12-396521-9.00004-8openalex-snapshot
Structural Biology and Anticancer Drug Design
inferred← citeshttps://doi.org/10.1016/b978-0-12-397176-0.00003-0openalex-snapshot
The small molecule drug discovery process – from target selection to candidate selection
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.13767-9openalex-snapshot
Fragment-Based Discovery of AZD2716: A Novel, Potent Secreted Phospholipase A 2 (sPLA 2 ) Inhibitor for the Treatment of Coronary Artery Disease
inferred← citeshttps://doi.org/10.1016/b978-0-12-417205-0.00007-9openalex-snapshot
Fragment-Based Drug Discovery
inferred← citeshttps://doi.org/10.1016/b978-0-12-820472-6.00078-5openalex-snapshot
Compound Screening
inferred← citeshttps://doi.org/10.1016/b978-0-323-91294-5.00008-7openalex-snapshot
Structure-related relationship: Plant-derived antidiabetic compounds
inferred← citeshttps://doi.org/10.1016/b978-0-323-91817-6.00017-6openalex-snapshot
New drug discovery and development
inferred← citeshttps://doi.org/10.1016/b978-0-323-99137-7.00003-4openalex-snapshot
New drug discovery pipeline
inferred← citeshttps://doi.org/10.1016/bs.armc.2017.07.002openalex-snapshot
Fragment-Based Lead Discovery
inferred← citeshttps://doi.org/10.1016/bs.mie.2015.01.016openalex-snapshot
Surface Plasmon Resonance Analysis of Seven-Transmembrane Receptors
inferred← citeshttps://doi.org/10.1016/bs.mie.2023.06.015openalex-snapshot
Steady-state kinetic analysis of reversible enzyme inhibitors: A case study on calf intestine alkaline phosphatase
inferred← citeshttps://doi.org/10.1016/j.antiviral.2014.03.013openalex-snapshot
Assessment of Dengue virus helicase and methyltransferase as targets for fragment-based drug discovery
inferred← citeshttps://doi.org/10.1016/j.antiviral.2021.105230openalex-snapshot
Screening and identification of Lassa virus endonuclease-targeting inhibitors from a fragment-based drug discovery library
inferred← citeshttps://doi.org/10.1016/j.bbagen.2016.10.003openalex-snapshot
NMR characterization of weak interactions between RhoGDI2 and fragment screening hits
inferred← citeshttps://doi.org/10.1016/j.bbamem.2015.01.001openalex-snapshot
A novel fragment based strategy for membrane active antimicrobials against MRSA
inferred← citeshttps://doi.org/10.1016/j.bioorg.2021.105021openalex-snapshot
Identification of new lead molecules against anticancer drug target TFIIH subunit P8 using biophysical and molecular docking studies
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.07.022openalex-snapshot
Discovery of structurally-diverse inhibitor scaffolds by high-throughput screening of a fragment library with dimethylarginine dimethylaminohydrolase
inferred← citeshttps://doi.org/10.1016/j.bmc.2015.01.013openalex-snapshot
Cell-based and virtual fragment screening for adrenergic α2C receptor agonists
inferred← citeshttps://doi.org/10.1016/j.bmc.2016.12.005openalex-snapshot
Construction of a 3D-shaped, natural product like fragment library by fragmentation and diversification of natural products
inferred← citeshttps://doi.org/10.1016/j.bmcl.2014.07.071openalex-snapshot
Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmcl.2015.03.082openalex-snapshot
Classifying shape coverage in fragment libraries using a fingerprinting approach
inferred← citeshttps://doi.org/10.1016/j.bmcl.2016.04.073openalex-snapshot
Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design—Part 1
inferred← citeshttps://doi.org/10.1016/j.bmcl.2016.10.060openalex-snapshot
Identification of lead small molecule inhibitors of glycogen synthase kinase-3 beta using a fragment-linking strategy
inferred← citeshttps://doi.org/10.1016/j.cbpa.2013.04.016openalex-snapshot
Inhibitors of BACE for treating Alzheimer's disease: a fragment-based drug discovery story
inferred← citeshttps://doi.org/10.1016/j.cbpa.2015.02.021openalex-snapshot
Dual-pharmacophore DNA-encoded chemical libraries
inferred← citeshttps://doi.org/10.1016/j.cbpa.2019.03.014openalex-snapshot
Genetically encoded fragment-based discovery
inferred← citeshttps://doi.org/10.1016/j.chembiol.2021.03.010openalex-snapshot
Fragment-linking peptide design yields a high-affinity ligand for microtubule-based transport
inferred← citeshttps://doi.org/10.1016/j.drudis.2014.09.015openalex-snapshot
Evolutions in fragment-based drug design: the deconstruction–reconstruction approach
inferred← citeshttps://doi.org/10.1016/j.drudis.2016.06.030openalex-snapshot
Computational functional group mapping for drug discovery
inferred← citeshttps://doi.org/10.1016/j.drudis.2017.05.013openalex-snapshot
Industrial medicinal chemistry insights: neuroscience hit generation at Janssen
inferred← citeshttps://doi.org/10.1016/j.ejmech.2016.10.007openalex-snapshot
Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design
inferred← citeshttps://doi.org/10.1016/j.ejmech.2018.03.009openalex-snapshot
Identification of small-molecule inhibitors of USP2a
inferred← citeshttps://doi.org/10.1016/j.ejmech.2018.04.059openalex-snapshot
New developments in non-quinolone-based antibiotics for the inhibiton of bacterial gyrase and topoisomerase IV
inferred← citeshttps://doi.org/10.1016/j.ejmech.2018.11.075openalex-snapshot
NAOMInext – Synthetically feasible fragment growing in a structure-based design context
inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.115002openalex-snapshot
Small molecules containing chalcogen elements (S, Se, Te) as new warhead to fight neglected tropical diseases
inferred← citeshttps://doi.org/10.1016/j.jmb.2025.169382openalex-snapshot
Harnessing Allostery to Modulate Protein–Protein Interactions: From Function to Therapeutic Innovations
inferred← citeshttps://doi.org/10.1016/j.jmgm.2019.03.011openalex-snapshot
Structure-based virtual screening for novel chymase inhibitors by in silico fragment mapping
inferred← citeshttps://doi.org/10.1016/j.jmgm.2023.108434openalex-snapshot
Application of computational methods for class A GPCR Ligand discovery
inferred← citeshttps://doi.org/10.1016/j.jpba.2022.115166openalex-snapshot
Screening assays for tyrosine kinase inhibitors: A review
inferred← citeshttps://doi.org/10.1016/j.pbiomolbio.2020.10.005openalex-snapshot
Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response
inferred← citeshttps://doi.org/10.1016/j.pestbp.2022.105267openalex-snapshot
Open access databases available for the pesticide lead discovery
inferred← citeshttps://doi.org/10.1016/j.pharmthera.2014.02.008openalex-snapshot
Past strategies and future directions for identifying AMP-activated protein kinase (AMPK) modulators
inferred← citeshttps://doi.org/10.1016/j.pharmthera.2019.03.003openalex-snapshot
Emerging drug development technologies targeting ubiquitination for cancer therapeutics
inferred← citeshttps://doi.org/10.1016/j.pneurobio.2012.08.004openalex-snapshot
Therapeutic approaches to preventing cell death in Huntington disease
inferred← citeshttps://doi.org/10.1016/j.str.2020.04.019openalex-snapshot
F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening
inferred← citeshttps://doi.org/10.1016/j.tet.2014.06.125openalex-snapshot
Combination of click chemistry and sulfonamides to develop three-armed triazole compounds
inferred← citeshttps://doi.org/10.1016/j.tetlet.2015.11.068openalex-snapshot
The first synthesis of furo[2,3- c ]pyridazin-4(1 H )-one derivatives
inferred← citeshttps://doi.org/10.1016/j.tips.2016.05.008openalex-snapshot
Systematic Targeting of Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1016/j.trac.2023.117161openalex-snapshot
Advances in analytical technologies detecting and characterizing noncovalent interactions for fragment-based drug discovery
inferred← citeshttps://doi.org/10.1016/j.virol.2013.06.032openalex-snapshot
Characterizations of HCV NS5A replication complex inhibitors
inferred← citeshttps://doi.org/10.1021/acs.biochem.9b01092openalex-snapshot
Transition State Analogues Enhanced by Fragment-Based Structural Analysis: Bacterial Methylthioadenosine Nucleosidases
inferred← citeshttps://doi.org/10.1021/acs.jchemed.9b00198openalex-snapshot
Development of a Web-Based Laboratory Class to Reduce the Challenges in Teaching Fragment-Based Drug Design
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00556openalex-snapshot
Assessment of the Fragment Docking Program SEED
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c01227openalex-snapshot
Toward an Understanding of Pan-Assay Interference Compounds and Promiscuity: A Structural Perspective on Binding Modes
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00691openalex-snapshot
PlayMolecule Glimpse: Understanding Protein–Ligand Property Predictions with Interpretable Neural Networks
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01761openalex-snapshot
Conservation of Hot Spots and Ligand Binding Sites in Protein Models by AlphaFold2
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00453openalex-snapshot
Insights from Fragment Hit Binding Assays by Molecular Simulations
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00671openalex-snapshot
Systematic Computational Design and Identification of Low Picomolar Inhibitors of Aurora Kinase A
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01197openalex-snapshot
Cov_FB3D: A De Novo Covalent Drug Design Protocol Integrating the BA-SAMP Strategy and Machine-Learning-Based Synthetic Tractability Evaluation
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b01096openalex-snapshot
Fragment Pose Prediction Using Non-equilibrium Candidate Monte Carlo and Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c02222openalex-snapshot
A Novel NMR-Based Protocol to Screen Ultralow Molecular Weight Fragments
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c01262openalex-snapshot
Development of Fragment-Based Inhibitors of the Bacterial Deacetylase LpxC with Low Nanomolar Activity
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b00092openalex-snapshot
Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01527openalex-snapshot
Docking and Linking of Fragments To Discover Jumonji Histone Demethylase Inhibitors
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01616openalex-snapshot
Identification of Noncompetitive Inhibitors of Cytosolic 5′-Nucleotidase II Using a Fragment-Based Approach
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b00212openalex-snapshot
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b00944openalex-snapshot
Application of Fragment-Based de Novo Design to the Discovery of Selective Picomolar Inhibitors of Glycogen Synthase Kinase-3 Beta
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b01123openalex-snapshot
Fragment-to-Lead Medicinal Chemistry Publications in 2015
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.8b01855openalex-snapshot
Fragment Hits: What do They Look Like and How do They Bind?
inferred← citeshttps://doi.org/10.1021/acs.jpcb.6b09656openalex-snapshot
Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite λ Dynamics
inferred← citeshttps://doi.org/10.1021/acschembio.2c00587openalex-snapshot
Chemical Proteomics with Novel Fully Functionalized Fragments and Stringent Target Prioritization Identifies the Glutathione-Dependent Isomerase GSTZ1 as a Lung Cancer Target
inferred← citeshttps://doi.org/10.1021/acschembio.7b00717openalex-snapshot
Enthalpy-Based Screening of Focused Combinatorial Libraries for the Identification of Potent and Selective Ligands
inferred← citeshttps://doi.org/10.1021/acschembio.8b00875openalex-snapshot
CellFy: A Cell-Based Fragment Screen against C-Type Lectins
inferred← citeshttps://doi.org/10.1021/acsinfecdis.1c00462openalex-snapshot
An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.2c00503openalex-snapshot
An Automated, Open-Source Workflow for the Generation of (3D) Fragment Libraries
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.3c00343openalex-snapshot
Fragment-Based NMR Screening of the BPTF PHD Finger Methyl Lysine Reader Leads to the First Small-Molecule Inhibitors
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.3c00543openalex-snapshot
Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.6b00188openalex-snapshot
Discovery of AZD2716: A Novel Secreted Phospholipase A2 (sPLA2) Inhibitor for the Treatment of Coronary Artery Disease
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.7b00483openalex-snapshot
HTS by NMR for the Identification of Potent and Selective Inhibitors of Metalloenzymes
inferred← citeshttps://doi.org/10.1021/acsomega.4c04829openalex-snapshot
Development of a Crystallographic Screening to Identify Sudan Virus VP40 Ligands
inferred← citeshttps://doi.org/10.1021/acsomega.6b00482openalex-snapshot
Fragment Binding to β-Secretase 1 without Catalytic Aspartate Interactions Identified via Orthogonal Screening Approaches
inferred← citeshttps://doi.org/10.1021/acsomega.9b02079openalex-snapshot
Discovery of Inhibitors for Proliferating Cell Nuclear Antigen Using a Computational-Based Linked-Multiple-Fragment Screen
inferred← citeshttps://doi.org/10.1021/cb5001636openalex-snapshot
Increasing Chemical Space Coverage by Combining Empirical and Computational Fragment Screens
inferred← citeshttps://doi.org/10.1021/cb501032xopenalex-snapshot
Discovery of Novel Pneumococcal Surface Antigen A (PsaA) Inhibitors Using a Fragment-based Drug Design Approach
inferred← citeshttps://doi.org/10.1021/ci300523ropenalex-snapshot
Subpocket Analysis Method for Fragment-Based Drug Discovery
inferred← citeshttps://doi.org/10.1021/cr500043bopenalex-snapshot
NMR-Based Approaches for the Identification and Optimization of Inhibitors of Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1021/ja400914zopenalex-snapshot
Comprehensive Experimental and Computational Analysis of Binding Energy Hot Spots at the NF-κB Essential Modulator/IKKβ Protein–Protein Interface
inferred← citeshttps://doi.org/10.1021/ja4028082openalex-snapshot
Sub-nanomolar Detection of Prostate-Specific Membrane Antigen in Synthetic Urine by Synergistic, Dual-Ligand Phage
inferred← citeshttps://doi.org/10.1021/ja403074jopenalex-snapshot
Overcoming Compound Fluorescence in the FLiK Screening Assay with Red-Shifted Fluorophores
inferred← citeshttps://doi.org/10.1021/ja501354qopenalex-snapshot
Substrate Deconstruction and the Nonadditivity of Enzyme Recognition
inferred← citeshttps://doi.org/10.1021/jacs.1c01186openalex-snapshot
Genetically Encoded Fragment-Based Discovery from Phage-Displayed Macrocyclic Libraries with Genetically Encoded Unnatural Pharmacophores
inferred← citeshttps://doi.org/10.1021/jacs.6b07830openalex-snapshot
Chemical Proteomic Profiling of Human Methyltransferases
inferred← citeshttps://doi.org/10.1021/jacs.8b09277openalex-snapshot
DNA-Encoded Dynamic Chemical Library and Its Applications in Ligand Discovery
inferred← citeshttps://doi.org/10.1021/jm400140qopenalex-snapshot
Biophysical Fragment Screening of the β 1 -Adrenergic Receptor: Identification of High Affinity Arylpiperazine Leads Using Structure-Based Drug Design
inferred← citeshttps://doi.org/10.1021/jm4002605openalex-snapshot
De Novo Fragment Design: A Medicinal Chemistry Approach to Fragment-Based Lead Generation
inferred← citeshttps://doi.org/10.1021/jm400561wopenalex-snapshot
Structure-Based Fragment Screening Is Demonstrated To Be a Practical Lead Discovery Method for a Representative G-Protein-Coupled Receptor
inferred← citeshttps://doi.org/10.1021/jm500155bopenalex-snapshot
Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization
inferred← citeshttps://doi.org/10.1038/aps.2016.19openalex-snapshot
NMR-based platform for fragment-based lead discovery used in screening BRD4-targeted compounds
inferred← citeshttps://doi.org/10.1038/ncomms12777openalex-snapshot
Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities
inferred← citeshttps://doi.org/10.1038/nrc3690openalex-snapshot
Oncogenic protein interfaces: small molecules, big challenges
inferred← citeshttps://doi.org/10.1038/s41401-020-0405-7openalex-snapshot
An in vitro Forster resonance energy transfer-based high-throughput screening assay identifies inhibitors of SUMOylation E2 Ubc9
inferred← citeshttps://doi.org/10.1038/s41467-021-27655-0openalex-snapshot
Helical structure motifs made searchable for functional peptide design
inferred← citeshttps://doi.org/10.1038/s41598-017-04905-0openalex-snapshot
Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A 2A adenosine receptor binding site
inferred← citeshttps://doi.org/10.1038/s42004-022-00679-3openalex-snapshot
Targeting undruggable carbohydrate recognition sites through focused fragment library design
inferred← citeshttps://doi.org/10.1038/s42256-020-00236-4openalex-snapshot
Drug discovery with explainable artificial intelligence
inferred← citeshttps://doi.org/10.1039/c2md20035jopenalex-snapshot
INPHARMA-based identification of ligand binding site in fragment-based drug design
inferred← citeshttps://doi.org/10.1039/c4sc00588kopenalex-snapshot
De novo fragment-based design of inhibitors of DXS guided by spin-diffusion-based NMR spectroscopy
inferred← citeshttps://doi.org/10.1039/c5cs00628gopenalex-snapshot
The medicinal chemist's toolbox for late stage functionalization of drug-like molecules
inferred← citeshttps://doi.org/10.1039/c5ob00403aopenalex-snapshot
“Pruning of biomolecules and natural products (PBNP)”: an innovative paradigm in drug discovery
inferred← citeshttps://doi.org/10.1039/c6ra12664bopenalex-snapshot
Zn-catalyzed hydrohydrazination of propargylamides with BocNHNH 2 : a novel entry into the 1,2,4-triazine core
inferred← citeshttps://doi.org/10.1039/c7nj04208fopenalex-snapshot
Designing model imino bifunctional chelators for radiopharmaceuticals – in vitro antitumor activity, photoluminescence and structural analysis
inferred← citeshttps://doi.org/10.1039/d1cb00085copenalex-snapshot
19 F NMR viewed through two different lenses: ligand-observed and protein-observed 19 F NMR applications for fragment-based drug discovery
inferred← citeshttps://doi.org/10.1039/d2cb00007eopenalex-snapshot
Recent advances in DNA-encoded dynamic libraries
inferred← citeshttps://doi.org/10.1039/d3md00242jopenalex-snapshot
Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy
inferred← citeshttps://doi.org/10.1053/j.gastro.2019.11.279openalex-snapshot
Diphenylbutylpiperidine Antipsychotic Drugs Inhibit Prolactin Receptor Signaling to Reduce Growth of Pancreatic Ductal Adenocarcinoma in Mice
inferred← citeshttps://doi.org/10.1071/ch13286openalex-snapshot
Detection and Prevention of Aggregation-based False Positives in STD-NMR-based Fragment Screening
inferred← citeshttps://doi.org/10.1071/ch14333openalex-snapshot
Membrane Protein Structures for Rational Antimicrobial Drug Design
inferred← citeshttps://doi.org/10.1073/pnas.1501567112openalex-snapshot
Ligand deconstruction: Why some fragment binding positions are conserved and others are not
inferred← citeshttps://doi.org/10.1074/jbc.m114.636027openalex-snapshot
Small Molecules Detected by Second-Harmonic Generation Modulate the Conformation of Monomeric α-Synuclein and Reduce Its Aggregation in Cells
inferred← citeshttps://doi.org/10.1074/jbc.r115.668251openalex-snapshot
From G Protein-coupled Receptor Structure Resolution to Rational Drug Design
inferred← citeshttps://doi.org/10.1080/07391102.2021.1889670openalex-snapshot
Identifying novel putative ERK1/2 inhibitors via hybrid scaffold hopping –FBDD approach
inferred← citeshttps://doi.org/10.1080/14756366.2019.1636235openalex-snapshot
1D NMR WaterLOGSY as an efficient method for fragment-based lead discovery
inferred← citeshttps://doi.org/10.1080/17460441.2019.1648425openalex-snapshot
Advances with weak affinity chromatography for fragment screening
inferred← citeshttps://doi.org/10.1080/17460441.2023.2246881openalex-snapshot
The current role and evolution of X-ray crystallography in drug discovery and development
inferred← citeshttps://doi.org/10.1089/ars.2013.5375openalex-snapshot
Disarming Burkholderia pseudomallei : Structural and Functional Characterization of a Disulfide Oxidoreductase (DsbA) Required for Virulence In Vivo
inferred← citeshttps://doi.org/10.1093/nar/gkae326openalex-snapshot
ChemoDOTS: a web server to design chemistry-driven focused libraries
inferred← citeshttps://doi.org/10.1101/2025.02.09.637332openalex-snapshot
Assessment of native mass spectrometry as a screening method to identify and characterize RNA-targeting small molecules
inferred← citeshttps://doi.org/10.1107/s1399004715018519openalex-snapshot
Sent packing: protein engineering generates a new crystal form ofPseudomonas aeruginosaDsbA1 with increased catalytic surface accessibility
inferred← citeshttps://doi.org/10.1107/s2052252517003475openalex-snapshot
New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents
inferred← citeshttps://doi.org/10.1107/s2052252519006651openalex-snapshot
Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging
inferred← citeshttps://doi.org/10.1107/s2052252519010972openalex-snapshot
Why is interoperability between the two fields of chemical crystallography and protein crystallography so difficult?
inferred← citeshttps://doi.org/10.1107/s2052252522000665openalex-snapshot
Trends in coordination of rhenium organometallic complexes in the Protein Data Bank
inferred← citeshttps://doi.org/10.1107/s2059798325006801openalex-snapshot
XFBLD-Platform: a crystallographic fragment-screening platform at Shanghai Synchrotron Radiation Facility
inferred← citeshttps://doi.org/10.1109/mci.2022.3155308openalex-snapshot
Deep Evolutionary Learning for Molecular Design
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