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Fragment-Based Lead Discovery and Design
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Outgoing claims: the papers this work cites, builds on, or argues with.
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The Design of Leadlike Combinatorial Libraries
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Drug Design for G‐Protein‐Coupled Receptors by a Ligand‐Based NMR Method
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Cover Picture: From Activity Cliffs to Target‐Specific Scoring Models and Pharmacophore Hypotheses (ChemMedChem 9/2011)
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Pharmacophore‐based molecular docking to account for ligand flexibility
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Automated generation of MCSS‐derived pharmacophoric DOCK site points for searching multiconformation databases
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Functionality maps of binding sites: A multiple copy simultaneous search method
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Anatomy of hot spots in protein interfaces
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SuperStar: A Knowledge-based Approach for Identifying Interaction Sites in Proteins
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Fragment-Based Drug Design
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CAVEAT: A program to facilitate the design of organic molecules
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LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads
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SPROUT, HIPPO and CAESA: Tools for de novo structure generation and estimation of synthetic accessibility
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Ligand design by a combinatorial approach based on modeling and experiment: application to HLA-DR4
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CONFIRM: connecting fragments found in receptor molecules
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Design of compound libraries for fragment screening
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Structural models in the assessment of protein druggability based on HTS data
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Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide
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Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase
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Challenges of fragment screening
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Assessing the lipophilicity of fragments and early hits
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Fragment-based lead discovery: challenges and opportunities
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Design of a Fragment Library that maximally represents available chemical space
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The description of protein internal motions aids selection of ligand binding poses by the INPHARMA method
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Fragment Screening Purely with Protein Crystallography
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Fragment-based discovery of JAK-2 inhibitors
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Rapid assessment of a novel series of selective CB2 agonists using parallel synthesis protocols: A Lipophilic Efficiency (LipE) analysis
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Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery
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Molecular complexity and fragment-based drug discovery: ten years on
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Fragment-based lead discovery: a chemical update
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Transforming fragments into candidates: small becomes big in medicinal chemistry
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From fragment to clinical candidate—a historical perspective
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The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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The SHAPES strategy: an NMR-based approach for lead generation in drug discovery
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A ‘Rule of Three’ for fragment-based lead discovery?
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Ligand efficiency: a useful metric for lead selection
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Ligand efficiency indices as guideposts for drug discovery
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Fragment-based lead discovery: leads by design
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Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery
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2D QSAR Consensus Prediction for High-Throughput Virtual Screening. An Application to COX-2 Inhibition Modeling and Screening of the NCI Database
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Drug-like Annotation and Duplicate Analysis of a 23-Supplier Chemical Database Totalling 2.7 Million Compounds
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Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening against Protein Targets
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Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations
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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
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Fragment-Based de Novo Ligand Design by Multiobjective Evolutionary Optimization
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Investigation of MM-PBSA Rescoring of Docking Poses
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Computational Fragment-Based Approach at PDB Scale by Protein Local Similarity
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Group Epitope Mapping by Saturation Transfer Difference NMR To Identify Segments of a Ligand in Direct Contact with a Protein Receptor
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Optimization of the Interligand Overhauser Effect for Fragment Linking: Application to Inhibitor Discovery against Mycobacterium tuberculosis Pantothenate Synthetase
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Stoichiometry and Physical Chemistry of Promiscuous Aggregate-Based Inhibitors
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970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
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Ligand Mapping on Protein Surfaces by the 3D-RISM Theory: Toward Computational Fragment-Based Drug Design
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One-Dimensional Relaxation- and Diffusion-Edited NMR Methods for Screening Compounds That Bind to Macromolecules
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A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
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Functional group contributions to drug-receptor interactions
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A Comparison of Physiochemical Property Profiles of Development and Marketed Oral Drugs
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Characteristic Physical Properties and Structural Fragments of Marketed Oral Drugs
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BREED: Generating Novel Inhibitors through Hybridization of Known Ligands. Application to CDK2, P38, and HIV Protease
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Druggability Indices for Protein Targets Derived from NMR-Based Screening Data
inferredcites →https://doi.org/10.1021/jm0495778openalex-snapshot
Fragment-Based Lead Discovery Using X-ray Crystallography
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Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
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Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring
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Discovery of a Novel Warhead against β-Secretase through Fragment-Based Lead Generation
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Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine β-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency
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A Practical Use of Ligand Efficiency Indices Out of the Fragment-Based Approach: Ligand Efficiency-Guided Lead Identification of Soluble Epoxide Hydrolase Inhibitors
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Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H 1 Receptor
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Recent Progress in Understanding Activity Cliffs and Their Utility in Medicinal Chemistry
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4,5-Diarylisoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer
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Ligand Binding Efficiency: Trends, Physical Basis, and Implications
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“Virtual Fragment Linking”: An Approach To Identify Potent Binders from Low Affinity Fragment Hits
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Fragment-Based Discovery of the Pyrazol-4-yl Urea (AT9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity
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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
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CONCERTS: Dynamic Connection of Fragments as an Approach to de Novo Ligand Design
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The Properties of Known Drugs. 1. Molecular Frameworks
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Developing a Dynamic Pharmacophore Model for HIV-1 Integrase
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An Experimental Approach to Mapping the Binding Surfaces of Crystalline Proteins
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Screening for GPCR Ligands Using Surface Plasmon Resonance
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An efficient and cost-effective isotope labeling protocol for proteins expressed in shape Escherichia coli
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WaterLOGSY as a method for primary NMR screening: Practical aspects and range of applicability
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Discovering novel ligands for macromolecules using X-ray crystallographic screening
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Navigating chemical space for biology and medicine
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Molecular docking and ligand specificity in fragment-based inhibitor discovery
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Computer-based de novo design of drug-like molecules
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Drugs for bad bugs: confronting the challenges of antibacterial discovery
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A decade of fragment-based drug design: strategic advances and lessons learned
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The influence of drug-like concepts on decision-making in medicinal chemistry
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Peptidoglycan structure of Enterococcus faecium expressing vancomycin resistance of the VanB type
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Structure–activity relationships by interligand NOE-based design and synthesis of antiapoptotic compounds targeting Bid
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Docking for fragment inhibitors of AmpC β-lactamase
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Route to three-dimensional fragments using diversity-oriented synthesis
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On the attribution and additivity of binding energies
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Enzyme crystal structure in a neat organic solvent.
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Attenuated T 2 relaxation by mutual cancellation of dipole–dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution
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The maximal affinity of ligands
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Site-directed ligand discovery
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Fragment-based identification of druggable ‘hot spots’ of proteins using Fourier domain correlation techniques
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Principles of Nuclear Magnetic Resonance in One and Two Dimensions
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Discovering High-Affinity Ligands for Proteins: SAR by NMR
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Pyrrolamide DNA Gyrase Inhibitors: Fragment-Based Nuclear Magnetic Resonance Screening To Identify Antibacterial Agents
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Tethering: Fragment-Based Drug Discovery
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Correction for Interference by Test Samples in High-Throughput Assays
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Assay Development and Screening of a Serine/Threonine Kinase in an On-Chip Mode Using Caliper Nanofluidics Technology
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A Novel Approach to Combinatorial Library Design
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An Integrated Approach to Fragment-Based Lead Generation:Philosophy, Strategy and Case Studies from AstraZenecas Drug Discovery Programmes
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Fragment-Based Cocktail Crystallography by the Medical Structural Genomics of Pathogenic Protozoa Consortium
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Computational Approaches for Fragment-Based and De Novo Design
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Fragment‐Based Lead Generation
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Emerging Technologies for Fragment Screening
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FBDD Applications to Kinase Drug Hunting
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A Simple Fragment of Cyclic Acyldepsipeptides Is Necessary and Sufficient for ClpP Activation and Antibacterial Activity
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Generation of Polar Semi‐Saturated Bicyclic Pyrazoles for Fragment‐Based Drug‐Discovery Campaigns.
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Fragments as Novel Starting Points for tRNA‐Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies
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Fluoromethylketone‐Fragment Conjugates Designed as Covalent Modifiers of Ec DsbA are Atypical Substrates
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Focused grid‐based resampling for protein docking and mapping
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Establishing Trypanosoma cruzi farnesyl pyrophosphate synthase as a viable target for biosensor driven fragment‐based lead discovery
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Computational Multi-Target Drug Design
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Stress-Based Screening for Compounds That Inhibit β-Barrel Outer Membrane Protein Assembly in Gram-Negative Bacteria
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Fragment-Based Drug Discovery for Developing Inhibitors of Protein-Protein Interactions
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Progress in Allosteric Database
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Ligand efficiency metrics considered harmful
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Combining fragment docking with graph theory to improve ligand docking for homology model structures
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FastGrow: on-the-fly growing and its application to DYRK1A
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Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores
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Salicylates are interference compounds in TR-FRET assays
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Pharmacoinformatics-based identification of potential bioactive compounds against Ebola virus protein VP24
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Molecular docking and dynamics simulations studies of OmpATb identifies four potential novel natural product-derived anti-Mycobacterium tuberculosis compounds
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Analysis of ligand–protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP)
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Computer-aided design of aptamers for cytochrome p450
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Reverse fragment based drug discovery approach via simple estimation of fragment contributions
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High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits
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Shape-Based Descriptors for Efficient Structure-Based Fragment Growing
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Hot-Spot Residue-Based Virtual Screening of Novel Selective Estrogen-Receptor Degraders for Breast Cancer Treatment
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FSees: Customized Enumeration of Chemical Subspaces with Limited Main Memory Consumption
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Computational Multitarget Drug Design
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00381openalex-snapshot
Group Additivity in Ligand Binding Affinity: An Alternative Approach to Ligand Efficiency
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c00115openalex-snapshot
Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.3c00034openalex-snapshot
Fragment-Based Approaches to Identify RNA Binders
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b00313openalex-snapshot
The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b00892openalex-snapshot
Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu 5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile)
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01441openalex-snapshot
Discovery of Nanomolar Dengue and West Nile Virus Protease Inhibitors Containing a 4-Benzyloxyphenylglycine Residue
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b00007openalex-snapshot
Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b01148openalex-snapshot
Toward Understanding the Structural Basis of Partial Agonism at the Dopamine D3Receptor
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b01195openalex-snapshot
Active Site Mapping of an Aspartic Protease by Multiple Fragment Crystal Structures: Versatile Warheads To Address a Catalytic Dyad
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.7b00404openalex-snapshot
Fragment-Based Drug Discovery of Phosphodiesterase Inhibitors
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.7b01558openalex-snapshot
Binding-Site Compatible Fragment Growing Applied to the Design of β2-Adrenergic Receptor Ligands
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.7b01691openalex-snapshot
Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.8b01868openalex-snapshot
Metal-Binding Pharmacophore Library Yields the Discovery of a Glyoxalase 1 Inhibitor
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.6b00215openalex-snapshot
Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts
inferred← citeshttps://doi.org/10.1021/acs.joc.4c00143openalex-snapshot
Synthesis and Chemoinformatic Analysis of Fluorinated Piperidines as 3D Fragments for Fragment-Based Drug Discovery
inferred← citeshttps://doi.org/10.1021/acschembio.0c00498openalex-snapshot
Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia
inferred← citeshttps://doi.org/10.1021/acschembio.5b01034openalex-snapshot
Six Biophysical Screening Methods Miss a Large Proportion of Crystallographically Discovered Fragment Hits: A Case Study
inferred← citeshttps://doi.org/10.1021/acscombsci.6b00050openalex-snapshot
Efficient Routes to a Diverse Array of Amino Alcohol-Derived Chiral Fragments
inferred← citeshttps://doi.org/10.1021/ml500245vopenalex-snapshot
C-Terminal Residue Optimization and Fragment Merging: Discovery of a Potent Peptide-Hybrid Inhibitor of Dengue Protease
inferred← citeshttps://doi.org/10.1038/aps.2016.173openalex-snapshot
Docking-based structural splicing and reassembly strategy to develop novel deazapurine derivatives as potent B-RafV600E inhibitors
inferred← citeshttps://doi.org/10.1038/nchem.2660openalex-snapshot
Dynamic undocking and the quasi-bound state as tools for drug discovery
inferred← citeshttps://doi.org/10.1038/s41598-017-17620-7openalex-snapshot
Virtual screening for inhibitors of the human TSLP:TSLPR interaction
inferred← citeshttps://doi.org/10.1038/sdata.2017.73openalex-snapshot
Unique identifiers for small molecules enable rigorous labeling of their atoms
inferred← citeshttps://doi.org/10.1039/9781788010016-00023openalex-snapshot
Ligand-detected NMR Methods in Drug Discovery
inferred← citeshttps://doi.org/10.1039/c4md00328dopenalex-snapshot
Rational design of protein–protein interaction inhibitors
inferred← citeshttps://doi.org/10.1039/c4ob01910eopenalex-snapshot
Rhodium( ii )-catalyzed intramolecular formal [4 + 3] cycloadditions of dienyltriazoles: rapid access to fused 2,5-dihydroazepines
inferred← citeshttps://doi.org/10.1039/c7me00083aopenalex-snapshot
Thermodynamic and first-principles biomolecular simulations applied to synthetic biology: promoter and aptamer designs
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/d0sc03126gopenalex-snapshot
SyntaLinker: automatic fragment linking with deep conditional transformer neural networks
inferred← citeshttps://doi.org/10.1039/d1cc02798kopenalex-snapshot
Construction of 2-alkynyl aza-spiro[4,5]indole scaffolds via sequential C–H activations for modular click chemistry libraries
inferred← citeshttps://doi.org/10.1080/17460441.2024.2415310openalex-snapshot
Fragment-based approaches to discover ligands for tumor-specific E3 ligases
inferred← citeshttps://doi.org/10.1101/2024.04.29.591650openalex-snapshot
Crystallographic fragment screen of Enterovirus D68 3C protease and iterative design of lead-like compounds using structure-guided expansions
inferred← citeshttps://doi.org/10.1101/2024.08.23.609196openalex-snapshot
Identifying novel chemical matter against the Chikungunya virus nsP3 macrodomain through crystallographic fragment screening
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/10.1111/cbdd.12631openalex-snapshot
Considerations of Protein Subpockets in Fragment‐Based Drug Design
inferred← citeshttps://doi.org/10.1111/cbdd.12934openalex-snapshot
Biofocussed chemoprospecting: An efficient approach for drug discovery
inferred← citeshttps://doi.org/10.1111/cbdd.13129openalex-snapshot
Exhaustive sampling of the fragment space associated to a molecule leading to the generation of conserved fragments
inferred← citeshttps://doi.org/10.1111/mmi.14255openalex-snapshot
Inhibition of autotransporter biogenesis by small molecules
inferred← citeshttps://doi.org/10.1128/9781555819286.ch28openalex-snapshot
The Role of Biotin in Bacterial Physiology and Virulence: a Novel Antibiotic Target forMycobacterium tuberculosis
inferred← citeshttps://doi.org/10.1128/microbiolspec.vmbf-0008-2015openalex-snapshot
The Role of Biotin in Bacterial Physiology and Virulence: a Novel Antibiotic Target for Mycobacterium tuberculosis
inferred← citeshttps://doi.org/10.11606/d.46.2016.tde-14092016-093029openalex-snapshot
Aplicação do conceito do par iônico e seus efeitos sobre a lipofilicidade de brometos de amônio quaternários estruturalmente análogos a procaína, com atividade de bloqueio da transmissão neuromuscular, para estudos de (Q)SAR
inferred← citeshttps://doi.org/10.11606/d.9.2019.tde-28012019-115311openalex-snapshot
Otimização de novos inibidores da di-idrofolato redutase de Mycobaterium tuberculosis (mtDHFR): Docking molecular, síntese, avaliação da inibição enzimática e da atividade antimicobacte
inferred← citeshttps://doi.org/10.1186/s13045-020-00850-0openalex-snapshot
The design and development of covalent protein-protein interaction inhibitors for cancer treatment
inferred← citeshttps://doi.org/10.1186/s13321-015-0056-8openalex-snapshot
Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits
inferred← citeshttps://doi.org/10.1201/b18799-5openalex-snapshot
Library Design, Chemical Space, and Drug Likeness
inferred← citeshttps://doi.org/10.1201/b18799-8openalex-snapshot
- Library Design, Chemical Space, and Drug Likeness
inferred← citeshttps://doi.org/10.1208/s12248-017-0093-5openalex-snapshot
Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5
inferred← citeshttps://doi.org/10.1248/cpb.c17-00836openalex-snapshot
Fragment-Based Discovery of Pyrimido[1,2-b]indazole PDE10A Inhibitors
inferred← citeshttps://doi.org/10.14232/phd.10301openalex-snapshot
Célpont-ligandum komplexek számítása fragmens alapú molekulatervezési eljárásokkal
inferred← citeshttps://doi.org/10.1515/psr-2018-0101openalex-snapshot
Fundamental physical and chemical concepts behind “drug-likeness” and “natural product-likeness”
inferred← citeshttps://doi.org/10.15406/mojboc.2017.01.00012openalex-snapshot
Rise of Virtual Drug Design Tools
inferred← citeshttps://doi.org/10.1590/s2175-97902018000001004openalex-snapshot
Strategies towards expansion of chemical space of natural product-based compounds to enable drug discovery
inferred← citeshttps://doi.org/10.18388/pb.2016_25openalex-snapshot
Structure-guided, target-based drug discovery – exploiting genome information from HIV to mycobacterial infections
inferred← citeshttps://doi.org/10.2147/dddt.s518489openalex-snapshot
Bibliometrics Analysis and Knowledge Mapping of Fragment-Based Drug Design Research: Trends from 2015 to 2024
inferred← citeshttps://doi.org/10.2174/0109298673294251240229070740openalex-snapshot
Fragment-based Drug Discovery Strategy and its Application to the Design of SARS-CoV-2 Main Protease Inhibitor
inferred← citeshttps://doi.org/10.2174/0929867322666150209151209openalex-snapshot
Target Based Drug Design - A Reality in Virtual Sphere
inferred← citeshttps://doi.org/10.2174/1568026616666160719163839openalex-snapshot
Targeting Non-Catalytic Cysteine Residues Through Structure-Guided Drug Discovery
inferred← citeshttps://doi.org/10.2174/9789815123197123010009openalex-snapshot
High Throughput Screening (HTS) Methods for Screening of Known Drugs for COVID-19
inferred← citeshttps://doi.org/10.24820/ark.5550190.p011.348openalex-snapshot
Identifying bioactivity of pseudo-natural products using the Cell Painting assay
inferred← citeshttps://doi.org/10.3389/fchem.2019.00009openalex-snapshot
Embracing the Diversity of Halogen Bonding Motifs in Fragment-Based Drug Discovery—Construction of a Diversity-Optimized Halogen-Enriched Fragment Library
inferred← citeshttps://doi.org/10.3389/fchem.2020.00093openalex-snapshot
In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery
inferred← citeshttps://doi.org/10.3389/fchem.2022.844598openalex-snapshot
Novel Starting Points for Human Glycolate Oxidase Inhibitors, Revealed by Crystallography-Based Fragment Screening
inferred← citeshttps://doi.org/10.3389/fneur.2015.00197openalex-snapshot
A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets
inferred← citeshttps://doi.org/10.3390/biophysica3020024openalex-snapshot
Decomposition of Small Molecules for Fragment-Based Drug Design
inferred← citeshttps://doi.org/10.3390/ijms20020422openalex-snapshot
Towards Unraveling the Histone Code by Fragment Blind Docking
inferred← citeshttps://doi.org/10.3390/ijms23073981openalex-snapshot
Critical Assessment of a Structure-Based Screening Campaign for IDO1 Inhibitors: Tips and Pitfalls
inferred← citeshttps://doi.org/10.47749/t/unicamp.2018.1102653openalex-snapshot
Aplicação da técnica FBDD ¨fragment based drug discovery¨ para a enzima DHFR da via de biossíntese de folatos em Mycobacterium tuberculosis
inferred← citeshttps://doi.org/10.70675/1a4f06f0zdfa4z41efza87az70239c45c50copenalex-snapshot
Conception d'un logiciel pour la recherche de nouvelles molécules bioactives
inferred← citeshttps://doi.org/10.70675/c04eeb3az351fz48ddza731z6ad3d5044e23openalex-snapshot
Développement d'outils de chémoinformatique pour l'identification d'inhibiteurs de protéines kinases à partir de fragments
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