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Fragment-Based Lead Discovery Using X-ray Crystallography

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1097-0134(19981115)33:3<367::aid-prot6>3.0.co;2-wopenalex-snapshot

Flexible docking using tabu search and an empirical estimate of binding affinity

inferredcites →https://doi.org/10.1002/(sici)1521-3773(19991216)38:24<3743::aid-anie3743>3.0.co;2-uopenalex-snapshot

The Design of Leadlike Combinatorial Libraries

inferredcites →https://doi.org/10.1002/(sici)1521-3773(19991216)38:24<3748::aid-anie3748>3.0.co;2-0openalex-snapshot

Template-Mediated Synthesis of Polycyclic Aromatic Hydrocarbons: Cyclodehydrogenation and Planarization of a Hexaphenylbenzene Derivative at a Copper Surface

inferredcites →https://doi.org/10.1002/prot.10259openalex-snapshot

Kinase inhibitors and the case for CH…O hydrogen bonds in protein–ligand binding

inferredcites →https://doi.org/10.1002/prot.10465openalex-snapshot

Improved protein–ligand docking using GOLD

inferredcites →https://doi.org/10.1006/jmbi.1996.0897openalex-snapshot

Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

inferredcites →https://doi.org/10.1006/jmbi.1999.3371openalex-snapshot

Knowledge-based scoring function to predict protein-ligand interactions

inferredcites →https://doi.org/10.1016/0898-5529(90)90156-3openalex-snapshot

Automatic generation of 3D-atomic coordinates for organic molecules

inferredcites →https://doi.org/10.1016/j.coph.2004.04.007openalex-snapshot

High-throughput X-ray crystallography for drug discovery

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Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

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Cyclin-Dependent KinasesInitial Approaches to Exploit a Novel Therapeutic Target

inferredcites →https://doi.org/10.1016/s0165-6147(02)02071-0openalex-snapshot

Pharmacological inhibitors of cyclin-dependent kinases

inferredcites →https://doi.org/10.1016/s0169-409x(00)00129-0openalex-snapshot

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

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Small, low nanomolar, noncovalent thrombin inhibitors lacking a group to fill the ‘Distal binding pocket’

inferredcites →https://doi.org/10.1016/s0969-2126(00)00535-9openalex-snapshot

Automated Crystal Mounting and Data Collection for Protein Crystallography

inferredcites →https://doi.org/10.1016/s1074-5521(00)80022-8openalex-snapshot

The SHAPES strategy: an NMR-based approach for lead generation in drug discovery

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A web-based platform for virtual screening

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Structure-based screening and design in drug discovery

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Structure-based screening of low-affinity compounds

inferredcites →https://doi.org/10.1016/s1359-6446(03)02831-9openalex-snapshot

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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Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa ,

inferredcites →https://doi.org/10.1021/bi9700330openalex-snapshot

Crystal Structures of Ribonuclease A Complexes with 5‘-Diphosphoadenosine 3‘-Phosphate and 5‘-Diphosphoadenosine 2‘-Phosphate at 1.7 Å Resolution,

inferredcites →https://doi.org/10.1021/bi9816958openalex-snapshot

Structural Basis for Inhibition of the Protein Tyrosine Phosphatase 1B by Phosphotyrosine Peptide Mimetics,

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Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-trans-Lactone Template

inferredcites →https://doi.org/10.1021/ci000403iopenalex-snapshot

Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery

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Is There a Difference between Leads and Drugs? A Historical Perspective

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Structure-Based Screening As Applied to Human FABP4: A Highly Efficient Alternative to HTS for Hit Generation

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inferredcites →https://doi.org/10.1021/jm001043topenalex-snapshot

Crystal Structure of Human Cyclin-Dependent Kinase 2 in Complex with the Adenine-Derived Inhibitor H717

inferredcites →https://doi.org/10.1021/jm010266wopenalex-snapshot

Structure of Protein Tyrosine Phosphatase 1B in Complex with Inhibitors Bearing Two Phosphotyrosine Mimetics

inferredcites →https://doi.org/10.1021/jm010927popenalex-snapshot

SAR and X-ray. A New Approach Combining Fragment-Based Screening and Rational Drug Design: Application to the Discovery of Nanomolar Inhibitors of Src SH2

inferredcites →https://doi.org/10.1021/jm020970sopenalex-snapshot

Requirements for Specific Binding of Low Affinity Inhibitor Fragments to the SH2 Domain ofpp60Src Are Identical to Those for High Affinity Binding of Full Length Inhibitors

inferredcites →https://doi.org/10.1021/jm030497yopenalex-snapshot

Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization

inferredcites →https://doi.org/10.1021/jm049575nopenalex-snapshot

Identification of Novel p38α MAP Kinase Inhibitors Using Fragment-Based Lead Generation

inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot

The Properties of Known Drugs. 1. Molecular Frameworks

inferredcites →https://doi.org/10.1021/jm960402aopenalex-snapshot

High-Resolution Crystal Structures of Human Cyclin-Dependent Kinase 2 with and without ATP: Bound Waters and Natural Ligand as Guides for Inhibitor Design

inferredcites →https://doi.org/10.1021/jm9801713openalex-snapshot

Design and Synthesis of a Series of Potent and Orally Bioavailable Noncovalent Thrombin Inhibitors That Utilize Nonbasic Groups in the P1 Position

inferredcites →https://doi.org/10.1021/jm9903996openalex-snapshot

Properties of Known Drugs. 2. Side Chains

inferredcites →https://doi.org/10.1023/a:1022446720849openalex-snapshot

The consequences of translational and rotational entropy lost by small molecules on binding to proteins

inferredcites →https://doi.org/10.1023/a:1023813504011openalex-snapshot

AstexViewerTM †: a visualisation aid for structure-based drug design

inferredcites →https://doi.org/10.1038/80319openalex-snapshot

Discovering novel ligands for macromolecules using X-ray crystallographic screening

inferredcites →https://doi.org/10.1038/80323openalex-snapshot

Ligation-mediated PCR for quantitative in vivo footprinting

inferredcites →https://doi.org/10.1038/nsb949openalex-snapshot

Structural basis for p38α MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity

inferredcites →https://doi.org/10.1042/cs20000140openalex-snapshot

Science, art and drug discovery: a personal perspective

inferredcites →https://doi.org/10.1073/pnas.94.6.2327openalex-snapshot

The structure of mitogen-activated protein kinase p38 at 2.1-Å resolution

inferredcites →https://doi.org/10.1073/pnas.97.17.9367openalex-snapshot

Site-directed ligand discovery

inferredcites →https://doi.org/10.1073/pnas.97.6.2419openalex-snapshot

Combinatorial target-guided ligand assembly: Identification of potent subtype-selective c-Src inhibitors

inferredcites →https://doi.org/10.1074/jbc.273.25.15605openalex-snapshot

Acquisition of Sensitivity of Stress-activated Protein Kinases to the p38 Inhibitor, SB 203580, by Alteration of One or More Amino Acids within the ATP Binding Pocket

inferredcites →https://doi.org/10.1074/jbc.275.10.7101openalex-snapshot

2-(Oxalylamino)-Benzoic Acid Is a General, Competitive Inhibitor of Protein-tyrosine Phosphatases

inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot

The Protein Data Bank

inferredcites →https://doi.org/10.1093/protein/3.1.1openalex-snapshot

The price of lost freedom: entropy of bimolecular complex formation

inferredcites →https://doi.org/10.1097/00001721-199102000-00011openalex-snapshot

Thrombin structure and function

inferredcites →https://doi.org/10.1107/s0108767393007597openalex-snapshot

AMoRe: an automated package for molecular replacement

inferredcites →https://doi.org/10.1107/s0907444996012255openalex-snapshot

Refinement of Macromolecular Structures by the Maximum-Likelihood Method

inferredcites →https://doi.org/10.1107/s0907444998003254openalex-snapshot

Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination

inferredcites →https://doi.org/10.1107/s090744499900935xopenalex-snapshot

The finer things in X-ray diffraction data collection

inferredcites →https://doi.org/10.1110/ps.9.6.1217openalex-snapshot

Productive and nonproductive binding to ribonuclease A: X‐ray structure of two complexes with uridylyl(2′,5′)guanosine

inferredcites →https://doi.org/10.1126/science.1650499openalex-snapshot

Protein Tyrosine Phosphatases: A Diverse Family of Intracellular and Transmembrane Enzymes

inferredcites →https://doi.org/10.2174/0929867003374048openalex-snapshot

Inhibitors of Cyclin-Dependent Kinases as Anti-Cancer Therapeutics

inferredcites →https://doi.org/10.2174/092986730609220401150415openalex-snapshot

Inhibitors of p38 MAP Kinase: Therapeutic Intervention in Cytokine-Mediated Diseases

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Cell wall target fragment discovery using a low‐cost, minimal fragment library

inferred← citeshttps://doi.org/10.1002/1878-0261.13277openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/9780470048672.wecb405openalex-snapshot

Combinatorial Libraries: Applications in Chemical Biology

inferred← citeshttps://doi.org/10.1002/9780470423936.ch5openalex-snapshot

Strategies for Discovering Kinase Drugs

inferred← citeshttps://doi.org/10.1002/9780470571224.pse069openalex-snapshot

Preclinical Drug Development Planning

inferred← citeshttps://doi.org/10.1002/9780470584170.ch4openalex-snapshot

Fragment‐Based Lead Discovery

inferred← citeshttps://doi.org/10.1002/9780470915110.ch11openalex-snapshot

Fragment‐Based Drug Design: Considerations for Good ADME Properties

inferred← citeshttps://doi.org/10.1002/9780470979129.ch18openalex-snapshot

SPR‐Based Direct Binding Assays in Drug Discovery

inferred← citeshttps://doi.org/10.1002/9781118681121.ch2openalex-snapshot

A Structural View on Druggability

inferred← citeshttps://doi.org/10.1002/9781118742921.ch2.2openalex-snapshot

Combinatorial Chemistry Library Design

inferred← citeshttps://doi.org/10.1002/9781118876015.ch8openalex-snapshot

Advances in X‐Ray Diffraction

inferred← citeshttps://doi.org/10.1002/9783527619375.ch15aopenalex-snapshot

The Target Family Approach

inferred← citeshttps://doi.org/10.1002/9783527633326.ch17openalex-snapshot

Fragment‐Based Approaches in Virtual Screening

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PlasmodiumHsp90 as an Antimalarial Target

inferred← citeshttps://doi.org/10.1002/9783527644506.refsopenalex-snapshot

References

inferred← citeshttps://doi.org/10.1002/9783527677016.ch6openalex-snapshot

Hit and Lead Identification from Fragments

inferred← citeshttps://doi.org/10.1002/9783527683604.ch16openalex-snapshot

Discovery of Inhibitors of Protein–Protein Interactions Using Fragment‐Based Methods

inferred← citeshttps://doi.org/10.1002/ange.200806219openalex-snapshot

Evidence for CCl/CBr⋅⋅⋅π Interactions as an Important Contribution to Protein–Ligand Binding Affinity

inferred← citeshttps://doi.org/10.1002/ange.201107091openalex-snapshot

Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein–Ligand Complexes

inferred← citeshttps://doi.org/10.1002/ange.202100273openalex-snapshot

Comprehensive Analysis of Binding Sites in Tubulin

inferred← citeshttps://doi.org/10.1002/anie.200806219openalex-snapshot

Evidence for CCl/CBr⋅⋅⋅π Interactions as an Important Contribution to Protein–Ligand Binding Affinity

inferred← citeshttps://doi.org/10.1002/anie.201107091openalex-snapshot

Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein–Ligand Complexes

inferred← citeshttps://doi.org/10.1002/anie.202100273openalex-snapshot

Comprehensive Analysis of Binding Sites in Tubulin

inferred← citeshttps://doi.org/10.1002/biot.200700259openalex-snapshot

Computational chemistry approaches to drug discovery in signal transduction

inferred← citeshttps://doi.org/10.1002/cbic.200800704openalex-snapshot

On‐Chip Fragment‐Based Approach for Discovery of High‐Affinity Bivalent Inhibitors

inferred← citeshttps://doi.org/10.1002/cbic.201300347openalex-snapshot

Development of Fragment‐Based n‐FABS NMR Screening Applied to the Membrane Enzyme FAAH

inferred← citeshttps://doi.org/10.1002/cbic.201402192openalex-snapshot

Repositioning the Substrate Activity Screening (SAS) Approach as a Fragment‐Based Method for Identification of Weak Binders

inferred← citeshttps://doi.org/10.1002/cmdc.200500102openalex-snapshot

FlexNovo : Structure‐Based Searching in Large Fragment Spaces

inferred← citeshttps://doi.org/10.1002/cmdc.200600074openalex-snapshot

Automated Protein–Ligand Crystallography for Structure‐Based Drug Design

inferred← citeshttps://doi.org/10.1002/cmdc.201000084openalex-snapshot

Fragment‐Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition

inferred← citeshttps://doi.org/10.1002/cmdc.201500030openalex-snapshot

A Comprehensive Structural Overview of p38α MAPK in Complex with Type I Inhibitors

inferred← citeshttps://doi.org/10.1002/cmtd.202400009openalex-snapshot

Rescaling NMR for a Larger Deployment in Drug Discovery: Hyperpolarization and Benchtop NMR as Potential Game‐Changers

inferred← citeshttps://doi.org/10.1002/cphc.201200799openalex-snapshot

Halogen Bonding: An Interim Discussion

inferred← citeshttps://doi.org/10.1002/jcc.21056openalex-snapshot

Fragment‐based quantitative structure–activity relationship (FB‐QSAR) for fragment‐based drug design

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inferred← citeshttps://doi.org/10.1002/jcc.27370openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/med.21255openalex-snapshot

Fragment Informatics and Computational Fragment‐Based Drug Design: An Overview and Update

inferred← citeshttps://doi.org/10.1002/prp2.70030openalex-snapshot

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inferred← citeshttps://doi.org/10.1002/qsar.200520136openalex-snapshot

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inferred← citeshttps://doi.org/10.1007/1-4020-4407-0_3openalex-snapshot

Introduction to Fragment Screening

inferred← citeshttps://doi.org/10.1007/1-4020-4407-0_5openalex-snapshot

Fragment-Based Screening by X-ray Crystallography

inferred← citeshttps://doi.org/10.1007/1-4020-4407-0_6openalex-snapshot

Scaffold-Based Drug Discovery

inferred← citeshttps://doi.org/10.1007/128_2011_179openalex-snapshot

Fragment Screening Using X-Ray Crystallography

inferred← citeshttps://doi.org/10.1007/128_2011_232openalex-snapshot

Fragment Screening and HIV Therapeutics

inferred← citeshttps://doi.org/10.1007/128_2011_265openalex-snapshot

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inferred← citeshttps://doi.org/10.1007/128_2012_326openalex-snapshot

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inferred← citeshttps://doi.org/10.1007/2789_2007_064openalex-snapshot

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inferred← citeshttps://doi.org/10.1007/7355_2009_5openalex-snapshot

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inferred← citeshttps://doi.org/10.1007/7653_2015_51openalex-snapshot

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inferred← citeshttps://doi.org/10.1007/7653_2015_59openalex-snapshot

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inferred← citeshttps://doi.org/10.1007/7653_2018_17openalex-snapshot

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inferred← citeshttps://doi.org/10.1007/978-1-0716-4418-8_2openalex-snapshot

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inferred← citeshttps://doi.org/10.1007/978-1-4939-2486-8_13openalex-snapshot

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inferred← citeshttps://doi.org/10.1007/978-1-4939-2486-8_6openalex-snapshot

Protocol for Fragment Hopping

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Fragment-Based Ligand Designing

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Organizing Bioactive Compound Discovery in Target Families

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inferred← citeshttps://doi.org/10.1007/s10822-009-9264-5openalex-snapshot

Design of compound libraries for fragment screening

inferred← citeshttps://doi.org/10.1007/s10822-009-9268-1openalex-snapshot

Energetic analysis of fragment docking and application to structure-based pharmacophore hypothesis generation

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The multiple roles of computational chemistry in fragment-based drug design

inferred← citeshttps://doi.org/10.1007/s10822-009-9293-0openalex-snapshot

Challenges of fragment screening

inferred← citeshttps://doi.org/10.1007/s10822-011-9434-0openalex-snapshot

Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics

inferred← citeshttps://doi.org/10.1007/s10822-011-9523-0openalex-snapshot

Computational fragment-based screening using RosettaLigand: the SAMPL3 challenge

inferred← citeshttps://doi.org/10.1007/s10822-012-9569-7openalex-snapshot

Virtual screening using a conformationally flexible target protein: models for ligand binding to p38α MAPK

inferred← citeshttps://doi.org/10.1007/s10858-016-0067-4openalex-snapshot

Determination of ligand binding modes in weak protein–ligand complexes using sparse NMR data

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Structural genomics of protein phosphatases

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Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei

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inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00257-1openalex-snapshot

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inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00277-7openalex-snapshot

New Applications for Structure-Based Drug Design

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inferred← citeshttps://doi.org/10.1016/b978-0-08-102083-8.00001-7openalex-snapshot

Multitargeting Heterocycles

inferred← citeshttps://doi.org/10.1016/b978-0-12-374194-3.00011-1openalex-snapshot

Fragment-Based Drug Discovery

inferred← citeshttps://doi.org/10.1016/b978-0-12-374194-3.00030-5openalex-snapshot

Protein Crystallography and Drug Discovery

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Key Factors for Successful Generation of Protein–Fragment Structures

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Predicting the Success of Fragment Screening by X-Ray Crystallography

inferred← citeshttps://doi.org/10.1016/b978-0-12-381274-2.00006-6openalex-snapshot

Using Computational Techniques in Fragment-Based Drug Discovery

inferred← citeshttps://doi.org/10.1016/b978-0-12-381274-2.00009-1openalex-snapshot

Practical Aspects of NMR-Based Fragment Screening

inferred← citeshttps://doi.org/10.1016/b978-0-12-381274-2.00013-3openalex-snapshot

Fragment Screening Purely with Protein Crystallography

inferred← citeshttps://doi.org/10.1016/b978-0-12-381274-2.00016-9openalex-snapshot

Medicinal Chemistry Inspired Fragment-Based Drug Discovery

inferred← citeshttps://doi.org/10.1016/b978-0-12-381274-2.00021-2openalex-snapshot

Fragment Screening of Infectious Disease Targets in a Structural Genomics Environment

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/b978-0-12-409547-2.02568-3openalex-snapshot

Library Design: Reactant and Product-Based Approaches

inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12317-0openalex-snapshot

High-Throughput Crystallography and Its Applications in Drug Discovery

inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12319-4openalex-snapshot

Fragment-Based Drug Design: Strategic Advances and Lessons Learned

inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12392-3openalex-snapshot

Protein–Protein Interaction Inhibitors in Cancer

inferred← citeshttps://doi.org/10.1016/b978-0-12-411508-8.00005-0openalex-snapshot

Medicinal Chemistry

inferred← citeshttps://doi.org/10.1016/b978-0-12-417205-0.00007-9openalex-snapshot

Fragment-Based Drug Discovery

inferred← citeshttps://doi.org/10.1016/b978-0-12-803959-5.50004-0openalex-snapshot

Towards Small Molecules as Therapies for Alzheimer’s Disease and Other Neurodegenerative Disorders

inferred← citeshttps://doi.org/10.1016/b978-0-12-817214-8.00005-1openalex-snapshot

Medicinal chemistry

inferred← citeshttps://doi.org/10.1016/b978-0-12-819132-3.00013-0openalex-snapshot

Structure-guided discovery of pharmacological chaperones targeting protein conformational and misfolding diseases

inferred← citeshttps://doi.org/10.1016/b978-0-443-15862-9.00002-3openalex-snapshot

Lead Discovery

inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00067-4openalex-snapshot

Protein-protein interaction inhibitors in cancer

inferred← citeshttps://doi.org/10.1016/b978-0-7020-4299-7.00008-1openalex-snapshot

High-throughput screening

inferred← citeshttps://doi.org/10.1016/b978-012369448-5.50007-0openalex-snapshot

Structural biology and anticancer drug design

inferred← citeshttps://doi.org/10.1016/b978-012369448-5.50014-8openalex-snapshot

Cell cycle inhibitors in cancer: current status and future directions

inferred← citeshttps://doi.org/10.1016/bs.mie.2018.08.016openalex-snapshot

Applications of Dissolution-DNP for NMR Screening

inferred← citeshttps://doi.org/10.1016/bs.mie.2018.09.027openalex-snapshot

Achieving a Good Crystal System for Crystallographic X-Ray Fragment Screening

inferred← citeshttps://doi.org/10.1016/bs.pmch.2023.10.002openalex-snapshot

Biophysical screening and characterisation in medicinal chemistry

inferred← citeshttps://doi.org/10.1016/j.aca.2018.06.024openalex-snapshot

Capillary electrophoretic mobility shift displacement assay for the assessment of weak drug-protein interactions

inferred← citeshttps://doi.org/10.1016/j.actatropica.2010.01.010openalex-snapshot

Crystal structure of Schistosoma purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor

inferred← citeshttps://doi.org/10.1016/j.bbapap.2009.12.002openalex-snapshot

Structure-guided expansion of kinase fragment libraries driven by support vector machine models

inferred← citeshttps://doi.org/10.1016/j.bcp.2022.115301openalex-snapshot

Recent trends in fragment-based anticancer drug design strategies against different targets: A mini-review

inferred← citeshttps://doi.org/10.1016/j.bioorg.2022.105626openalex-snapshot

Recent updates on development of protein-tyrosine phosphatase 1B inhibitors for treatment of diabetes, obesity and related disorders

inferred← citeshttps://doi.org/10.1016/j.bmc.2005.09.055openalex-snapshot

Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B

inferred← citeshttps://doi.org/10.1016/j.bmc.2009.11.025openalex-snapshot

Identification of a novel ligand binding motif in the transthyretin channel

inferred← citeshttps://doi.org/10.1016/j.bmc.2010.01.055openalex-snapshot

Novel thiophene derivatives as PTP1B inhibitors with selectivity and cellular activity

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.2022.116879openalex-snapshot

Fragment hopping protocol for the design of small-molecule protein–protein interaction inhibitors

inferred← citeshttps://doi.org/10.1016/j.bmcl.2008.03.056openalex-snapshot

Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors

inferred← citeshttps://doi.org/10.1016/j.bmcl.2011.04.027openalex-snapshot

The identification of new metallo-β-lactamase inhibitor leads from fragment-based screening

inferred← citeshttps://doi.org/10.1016/j.bmcl.2016.03.003openalex-snapshot

Novel Imbricatolic acid derivatives as protein tyrosine phosphatase-1B inhibitors: Design, synthesis, biological evaluation and molecular docking

inferred← citeshttps://doi.org/10.1016/j.bmcl.2017.10.054openalex-snapshot

The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design

inferred← citeshttps://doi.org/10.1016/j.bpj.2025.03.016openalex-snapshot

Mapping the distribution and affinities of ligand interaction sites on human serum albumin

inferred← citeshttps://doi.org/10.1016/j.cbpa.2005.05.002openalex-snapshot

Fragonomics: fragment-based drug discovery

inferred← citeshttps://doi.org/10.1016/j.cbpa.2005.06.007openalex-snapshot

Recent applications of protein crystallography and structure-guided drug design

inferred← citeshttps://doi.org/10.1016/j.cbpa.2006.06.003openalex-snapshot

How good is your screening library?

inferred← citeshttps://doi.org/10.1016/j.cbpa.2007.05.003openalex-snapshot

The interdependence between screening methods and screening libraries

inferred← citeshttps://doi.org/10.1016/j.cbpa.2007.07.010openalex-snapshot

Fragment-based screening using X-ray crystallography and NMR spectroscopy

inferred← citeshttps://doi.org/10.1016/j.chembiol.2005.08.013openalex-snapshot

Solution Nuclear Magnetic Resonance Spectroscopy Techniques for Probing Intermolecular Interactions

inferred← citeshttps://doi.org/10.1016/j.chembiol.2018.10.001openalex-snapshot

Fragment-Based Drug Discovery: Advancing Fragments in the Absence of Crystal Structures

inferred← citeshttps://doi.org/10.1016/j.copbio.2005.10.007openalex-snapshot

Improving success rates for lead generation using affinity binding technologies

inferred← citeshttps://doi.org/10.1016/j.copbio.2006.10.007openalex-snapshot

Fragment-based lead discovery: a chemical update

inferred← citeshttps://doi.org/10.1016/j.copbio.2007.09.003openalex-snapshot

Fragment-based approaches to enzyme inhibition

inferred← citeshttps://doi.org/10.1016/j.csbj.2024.12.017openalex-snapshot

Predicting fragment binding modes using customized Lennard-Jones potentials in short molecular dynamics simulations

inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.11.001openalex-snapshot

High throughput protein crystallography: Developments in crystallisation, data collection and data processing

inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.12.001openalex-snapshot

The fragment-approach: An update

inferred← citeshttps://doi.org/10.1016/j.ddtec.2010.11.007openalex-snapshot

Fragments: past, present and future

inferred← citeshttps://doi.org/10.1016/j.ddtec.2010.11.010openalex-snapshot

Fragment library design: efficiently hunting drugs in chemical space

inferred← citeshttps://doi.org/10.1016/j.drudis.2006.02.008openalex-snapshot

Integrating molecular design resources within modern drug discovery research: the Roche experience

inferred← citeshttps://doi.org/10.1016/j.drudis.2006.06.016openalex-snapshot

Hit discovery and hit-to-lead approaches

inferred← citeshttps://doi.org/10.1016/j.drudis.2007.03.011openalex-snapshot

PTP1B as a drug target: recent developments in PTP1B inhibitor discovery

inferred← citeshttps://doi.org/10.1016/j.drudis.2007.07.006openalex-snapshot

The role of quantum mechanics in structure-based drug design

inferred← citeshttps://doi.org/10.1016/j.drudis.2007.08.005openalex-snapshot

Integration of fragment screening and library design

inferred← citeshttps://doi.org/10.1016/j.drudis.2008.02.004openalex-snapshot

Application of technologies and parallel chemistry for the generation of actives against biological targets

inferred← citeshttps://doi.org/10.1016/j.drudis.2009.03.009openalex-snapshot

Transforming fragments into candidates: small becomes big in medicinal chemistry

inferred← citeshttps://doi.org/10.1016/j.drudis.2009.04.007openalex-snapshot

From fragment to clinical candidate—a historical perspective

inferred← citeshttps://doi.org/10.1016/j.drudis.2011.08.002openalex-snapshot

The role of fragment-based and computational methods in polypharmacology

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.2018.05.004openalex-snapshot

When fragments link: a bibliometric perspective on the development of fragment-based drug discovery

inferred← citeshttps://doi.org/10.1016/j.drudis.2019.03.009openalex-snapshot

Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design

inferred← citeshttps://doi.org/10.1016/j.drudis.2019.12.006openalex-snapshot

Fragment-based drug discovery using cryo-EM

inferred← citeshttps://doi.org/10.1016/j.ejmech.2008.08.012openalex-snapshot

Fragment and knowledge-based design of selective GSK-3β inhibitors using virtual screening models

inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.05.027openalex-snapshot

Synthesis and biological evaluation of (±)-3-(2-(2-fluorobenzyloxy) naphthalen-6-yl)-2-aminopropanoic acid derivatives as novel PTP1B inhibitors

inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.06.025openalex-snapshot

Click to a focused library of benzyl 6-triazolo(hydroxy)benzoic glucosides: Novel construction of PTP1B inhibitors on a sugar scaffold

inferred← citeshttps://doi.org/10.1016/j.ejmech.2019.02.011openalex-snapshot

Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening

inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.114105openalex-snapshot

A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen)

inferred← citeshttps://doi.org/10.1016/j.ejmech.2024.116960openalex-snapshot

Rational fragment-based design of compounds targeting the PWWP domain of the HRP family

inferred← citeshttps://doi.org/10.1016/j.ejmech.2026.119251openalex-snapshot

Critical structural insights into selective small-molecule and peptide inhibitors of human urokinase-type plasminogen activator

inferred← citeshttps://doi.org/10.1016/j.ejps.2015.05.001openalex-snapshot

Establish an automated flow injection ESI-MS method for the screening of fragment based libraries: Application to Hsp90

inferred← citeshttps://doi.org/10.1016/j.febslet.2007.09.051openalex-snapshot

Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue

inferred← citeshttps://doi.org/10.1016/j.gde.2009.10.010openalex-snapshot

Scaffold-based design of kinase inhibitors for cancer therapy

inferred← citeshttps://doi.org/10.1016/j.jmb.2012.03.012openalex-snapshot

Fragmentation-Tree Density Representation for Crystallographic Modelling of Bound Ligands

inferred← citeshttps://doi.org/10.1016/j.jmgm.2018.07.007openalex-snapshot

Proposing novel TNFα direct inhibitor Scaffolds using fragment-docking based e-pharmacophore modeling and binary QSAR-based virtual screening protocols pipeline

inferred← citeshttps://doi.org/10.1016/j.molstruc.2023.136475openalex-snapshot

Synthesis, crystal structure characterization and computational investigation of new thieno[2,3-b]pyridine derivatives as potent against molecule p38 alpha MAP kinase

inferred← citeshttps://doi.org/10.1016/j.mrl.2021.100025openalex-snapshot

Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy

inferred← citeshttps://doi.org/10.1016/j.pbiomolbio.2014.08.004openalex-snapshot

Advantages of crystallographic fragment screening: Functional and mechanistic insights from a powerful platform for efficient drug discovery

inferred← citeshttps://doi.org/10.1016/j.sbi.2006.01.013openalex-snapshot

Can we rationally design promiscuous drugs?

inferred← citeshttps://doi.org/10.1016/j.sbi.2024.102982openalex-snapshot

Different applications and differentiated libraries for crystallographic fragment screening

inferred← citeshttps://doi.org/10.1016/j.str.2007.10.008openalex-snapshot

New Dimensions of Structural Proteomics: Exploring Chemical and Biological Space

inferred← citeshttps://doi.org/10.1016/j.str.2024.05.011openalex-snapshot

Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design

inferred← citeshttps://doi.org/10.1016/j.tet.2012.08.062openalex-snapshot

Synthesis of a biphenyl library for studies of hydrogen bonding in the solid state

inferred← citeshttps://doi.org/10.1016/j.tetlet.2011.07.147openalex-snapshot

Synthesis and solid state study of pyridine- and pyrimidine-based fragment libraries

inferred← citeshttps://doi.org/10.1016/j.tetlet.2018.05.075openalex-snapshot

Diversity-oriented synthesis of N,N -dimethylamino-substituted azoles employing TBTU

inferred← citeshttps://doi.org/10.1016/j.tibtech.2009.02.003openalex-snapshot

Structure-based design of molecular cancer therapeutics

inferred← citeshttps://doi.org/10.1016/j.tips.2015.08.003openalex-snapshot

Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery

inferred← citeshttps://doi.org/10.1016/j.trac.2024.117539openalex-snapshot

Review of the impact of fragment-based drug design on PROTAC degrader discovery

inferred← citeshttps://doi.org/10.1016/j.ymeth.2006.05.003openalex-snapshot

Crystallization of MAP kinases

inferred← citeshttps://doi.org/10.1016/j.ymeth.2018.06.005openalex-snapshot

MS methods to study macromolecule-ligand interaction: Applications in drug discovery

inferred← citeshttps://doi.org/10.1016/s0065-7743(05)40023-8openalex-snapshot

Structural Genomics and Drug Discovery

inferred← citeshttps://doi.org/10.1016/s0065-7743(07)42028-0openalex-snapshot

Chapter 28 Fragment-Based Lead Discovery

inferred← citeshttps://doi.org/10.1016/s0079-6468(05)44401-xopenalex-snapshot

1 Finding Protein Kinase Hits using Structural Information

inferred← citeshttps://doi.org/10.1016/s0079-6468(06)45501-6openalex-snapshot

1Hit and Lead Identification: Efficient Practices for Drug Discovery

inferred← citeshttps://doi.org/10.1016/s1359-6349(08)72221-3openalex-snapshot

287 POSTER Fragment-based discovery of AT9283; a multi-targeted kinase inhibitor with potent Aurora kinase activity

inferred← citeshttps://doi.org/10.1016/s1359-6446(05)03484-7openalex-snapshot

Keynote review: Structural biology and drug discovery

inferred← citeshttps://doi.org/10.1016/s1359-6446(05)03490-2openalex-snapshot

Widening bottlenecks in drug discovery Glimpses from Drug Discovery Technology Europe 2005

inferred← citeshttps://doi.org/10.1016/s1359-6446(05)03511-7openalex-snapshot

Fragment-based lead discovery: leads by design

inferred← citeshttps://doi.org/10.1016/s1359-6446(05)03663-9openalex-snapshot

Microarrays, databases and hard, hard sums

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