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On Sampling of Fragment Space
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1016/j.bmcl.2005.06.040openalex-snapshot
Adamantyl triazoles as selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1
inferredcites →https://doi.org/10.1016/s0969-2126(02)00799-2openalex-snapshot
Structure-Based Discovery of a Novel, Noncovalent Inhibitor of AmpC β-Lactamase
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(04)03087-9openalex-snapshot
Promiscuity: what protects us, perplexes us
inferredcites →https://doi.org/10.1021/ci050276wopenalex-snapshot
Anatomy of Fingerprint Search Calculations on Structurally Diverse Sets of Active Compounds
inferredcites →https://doi.org/10.1021/ja042984oopenalex-snapshot
Structure-Based Optimization of a Non-β-lactam Lead Results in Inhibitors That Do Not Up-Regulate β-Lactamase Expression in Cell Culture
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A new class of nonhormonal pregnancy-terminating agents. Synthesis and contragestational activity of 3,5-diaryl-s-triazoles
inferredcites →https://doi.org/10.1021/jm010036hopenalex-snapshot
Measuring Molecular Similarity and Diversity: Total Pharmacophore Diversity
inferredcites →https://doi.org/10.1021/jm049131ropenalex-snapshot
Druggability Indices for Protein Targets Derived from NMR-Based Screening Data
inferredcites →https://doi.org/10.1021/jm050346qopenalex-snapshot
Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase
inferredcites →https://doi.org/10.1021/jm060511hopenalex-snapshot
Fragment-Based Drug Design: How Big Is Too Big?
inferredcites →https://doi.org/10.1038/nchembio1206-658openalex-snapshot
Puzzling through fragment-based drug design
inferredcites →https://doi.org/10.1038/nchembio831openalex-snapshot
Deconstructing fragment-based inhibitor discovery
inferredcites →https://doi.org/10.2174/138620704772884832openalex-snapshot
(Research Papers) Design of a Compound Screening Collection for use in High Throughput Screening
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470584170.ch4openalex-snapshot
Fragment‐Based Lead Discovery
inferred← citeshttps://doi.org/10.1002/9780470721551.ch1openalex-snapshot
Introduction to Fragment‐Based Drug Discovery
inferred← citeshttps://doi.org/10.1002/cmdc.200700139openalex-snapshot
Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases
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/10.1007/7653_2015_51openalex-snapshot
Computational Fragment-Based Drug Design
inferred← citeshttps://doi.org/10.1007/978-3-030-62226-8_16openalex-snapshot
Key Aspects for Achieving Hits by Virtual Screening Studies
inferred← citeshttps://doi.org/10.1007/s10822-009-9284-1openalex-snapshot
The multiple roles of computational chemistry in fragment-based drug design
inferred← citeshttps://doi.org/10.1007/s10969-011-9102-6openalex-snapshot
Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei
inferred← citeshttps://doi.org/10.1016/b978-0-12-381274-2.00004-2openalex-snapshot
Predicting the Success of Fragment Screening by X-Ray Crystallography
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/j.bmc.2012.04.062openalex-snapshot
Early phase drug discovery: Cheminformatics and computational techniques in identifying lead series
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.2015.09.007openalex-snapshot
Why and how have drug discovery strategies in pharma changed? What are the new mindsets?
inferred← citeshttps://doi.org/10.1016/j.drudis.2016.01.005openalex-snapshot
Compound high-quality criteria: a new vision to guide the development of drugs, current situation
inferred← citeshttps://doi.org/10.1016/j.progpolymsci.2013.03.003openalex-snapshot
Dendrimer space concept for innovative nanomedicine: A futuristic vision for medicinal chemistry
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c00523openalex-snapshot
High-Throughput Screening for the Discovery of Enzyme Inhibitors
inferred← citeshttps://doi.org/10.1021/bi3005126openalex-snapshot
Fragment-Based Approaches in Drug Discovery and Chemical Biology
inferred← citeshttps://doi.org/10.1021/cb500100zopenalex-snapshot
Discovery of Selective Ligands for Telomeric RNA G-quadruplexes (TERRA) through 19F-NMR Based Fragment Screening
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/jm1005513openalex-snapshot
Discovery of Mitogen-Activated Protein Kinase-Interacting Kinase 1 Inhibitors by a Comprehensive Fragment-Oriented Virtual Screening Approach
inferred← citeshttps://doi.org/10.1021/jm200642wopenalex-snapshot
A Small Nonrule of 3 Compatible Fragment Library Provides High Hit Rate of Endothiapepsin Crystal Structures with Various Fragment Chemotypes
inferred← citeshttps://doi.org/10.1021/jm8000373openalex-snapshot
Recent Developments in Fragment-Based Drug Discovery
inferred← citeshttps://doi.org/10.1021/jm900259hopenalex-snapshot
Discovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography
inferred← citeshttps://doi.org/10.1038/nrd2445openalex-snapshot
The influence of drug-like concepts on decision-making in medicinal chemistry
inferred← citeshttps://doi.org/10.1039/9781782620938-00073openalex-snapshot
Current Status and Future Direction of Fragment-Based Drug Discovery: A Computational Chemistry Perspective
inferred← citeshttps://doi.org/10.1039/b609116bopenalex-snapshot
Computer-aided drug design 2005–2007
inferred← citeshttps://doi.org/10.1063/1.3624750openalex-snapshot
Pairwise additivity of energy components in protein-ligand binding: The HIV II protease-Indinavir case
inferred← citeshttps://doi.org/10.1517/17460441.3.7.733openalex-snapshot
Lead generation: reality check on commonly held views
inferred← citeshttps://doi.org/10.4155/fmc.10.277openalex-snapshot
Computational Medicinal Chemistry in Fragment-Based Drug Discovery: What, How and When
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