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Residue Preference Mapping of Ligand Fragments in the Protein Data Bank
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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SuperStar: A Knowledge-based Approach for Identifying Interaction Sites in Proteins
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Protein Sectors: Evolutionary Units of Three-Dimensional Structure
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Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit
inferredcites →https://doi.org/10.1016/s0022-2836(02)01408-0openalex-snapshot
Relibase: Design and Development of a Database for Comprehensive Analysis of Protein–Ligand Interactions
inferredcites →https://doi.org/10.1016/s0022-2836(02)01409-2openalex-snapshot
Utilising Structural Knowledge in Drug Design Strategies: Applications Using Relibase
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The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
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Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier
inferredcites →https://doi.org/10.1021/ci050370copenalex-snapshot
Mining a Chemical Database for Fragment Co-occurrence: Discovery of “Chemical Clichés”
inferredcites →https://doi.org/10.1021/jm030331xopenalex-snapshot
Structural Interaction Fingerprint (SIFt): A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions
inferredcites →https://doi.org/10.1021/jm8006504openalex-snapshot
Differences between High- and Low-Affinity Complexes of Enzymes and Nonenzymes
inferredcites →https://doi.org/10.1038/80319openalex-snapshot
Discovering novel ligands for macromolecules using X-ray crystallographic screening
inferredcites →https://doi.org/10.1038/nrd2220openalex-snapshot
A decade of fragment-based drug design: strategic advances and lessons learned
inferredcites →https://doi.org/10.1093/bioinformatics/bth066openalex-snapshot
Protein isoelectric point as a predictor for increased crystallization screening efficiency
inferredcites →https://doi.org/10.1093/bioinformatics/bth214openalex-snapshot
Ligand Depot: a data warehouse for ligands bound to macromolecules
inferredcites →https://doi.org/10.1093/nar/gkj067openalex-snapshot
DrugBank: a comprehensive resource for in silico drug discovery and exploration
inferredcites →https://doi.org/10.1093/nar/gkm958openalex-snapshot
DrugBank: a knowledgebase for drugs, drug actions and drug targets
inferredcites →https://doi.org/10.1093/protein/8.2.127openalex-snapshot
LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions
inferredcites →https://doi.org/10.1110/ps.062278006openalex-snapshot
Structure of the angiogenesis inhibitor ovalicin bound to its noncognate target, human Type 1 methionine aminopeptidase
inferredcites →https://doi.org/10.1126/science.274.5292.1531openalex-snapshot
Discovering High-Affinity Ligands for Proteins: SAR by NMR
inferredcites →https://doi.org/10.1126/science.282.5392.1324openalex-snapshot
Structure of Human Methionine Aminopeptidase-2 Complexed with Fumagillin
inferredcites →https://doi.org/10.1126/science.286.5438.295openalex-snapshot
Evolutionarily Conserved Pathways of Energetic Connectivity in Protein Families
inferredcites →https://doi.org/10.2174/138161206777585274openalex-snapshot
Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Protein Structural Databases in Drug Discovery
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Computational Methods to Support Fragment‐based Drug Discovery
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Are 1,4‐ and 1,5‐Disubstituted 1,2,3‐Triazoles Good Pharmacophoric Groups?
inferred← citeshttps://doi.org/10.1002/med.21541openalex-snapshot
Antitubulin sulfonamides: The successful combination of an established drug class and a multifaceted target
inferred← citeshttps://doi.org/10.1002/minf.201300082openalex-snapshot
Identification of Similar Binding Sites to Detect Distant Polypharmacology
inferred← citeshttps://doi.org/10.1007/s10822-021-00390-wopenalex-snapshot
CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities
inferred← citeshttps://doi.org/10.1016/b978-0-12-800634-4.00019-6openalex-snapshot
In Silico Chemogenomics Knowledgebase and Computational System Neuropharmacology Approach for Cannabinoid Drug Research
inferred← citeshttps://doi.org/10.1021/acs.jcim.6c00217openalex-snapshot
SAFR: Enabling Fragment-Based Drug Discovery with a Synthetic Binding Pose Data Set
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00537openalex-snapshot
Development and Testing of Druglike Screening Libraries
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01209openalex-snapshot
PlayMolecule CrypticScout: Predicting Protein Cryptic Sites Using Mixed-Solvent Molecular Simulations
inferred← citeshttps://doi.org/10.1021/bk-2011-1076.ch008openalex-snapshot
In SilicoFragment-Based Generation of Drug-Like Compounds
inferred← citeshttps://doi.org/10.1021/ci200627vopenalex-snapshot
Using Novel Descriptor Accounting for Ligand–Receptor Interactions To Define and Visually Explore Biologically Relevant Chemical Space
inferred← citeshttps://doi.org/10.1021/ci300377fopenalex-snapshot
Comprehensive Classification and Diversity Assessment of Atomic Contacts in Protein–Small Ligand Interactions
inferred← citeshttps://doi.org/10.1021/ci300523ropenalex-snapshot
Subpocket Analysis Method for Fragment-Based Drug Discovery
inferred← citeshttps://doi.org/10.1021/jm3012068openalex-snapshot
Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology
inferred← citeshttps://doi.org/10.1038/s41598-017-05058-wopenalex-snapshot
Identification of Histamine H3 Receptor Ligands Using a New Crystal Structure Fragment-based Method
inferred← citeshttps://doi.org/10.1111/cbdd.12631openalex-snapshot
Considerations of Protein Subpockets in Fragment‐Based Drug Design
inferred← citeshttps://doi.org/10.1208/s12248-018-0216-7openalex-snapshot
Computational Fragment-Based Drug Design: Current Trends, Strategies, and Applications
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1003589openalex-snapshot
Knowledge-based Fragment Binding Prediction
inferred← citeshttps://doi.org/10.26434/chemrxiv.12806819.v1openalex-snapshot
Automatic Cavity Identification and Decomposition into Subpockets with CAVIAR
inferred← citeshttps://doi.org/10.26434/chemrxiv.12806819.v2openalex-snapshot
Automatic Cavity Identification and Decomposition into Subpockets with CAVIAR
inferred← citeshttps://doi.org/10.3390/ijms23094749openalex-snapshot
Inverse Mixed-Solvent Molecular Dynamics for Visualization of the Residue Interaction Profile of Molecular Probes
inferred← citeshttps://doi.org/10.5530/ijper.54.1.14openalex-snapshot
Design of ALK Inhibitors for Non-Small Cell Lung Cancer – A Fragment Based Approach
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