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sc-PDB-Frag: A Database of Protein–Ligand Interaction Patterns for Bioisosteric Replacements
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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)1096-9063(199709)51:1<92::aid-ps608>3.0.co;2-9openalex-snapshot
Extended Summary: BIOSTER-a database of structurally analogous compounds
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19991004)38:19<2894::aid-anie2894>3.0.co;2-fopenalex-snapshot
“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening
inferredcites →https://doi.org/10.1002/cmdc.200700139openalex-snapshot
Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases
inferredcites →https://doi.org/10.1007/s10822-006-9072-0openalex-snapshot
Identification of target-specific bioisosteric fragments from ligand–protein crystallographic data
inferredcites →https://doi.org/10.1016/j.bmcl.2006.08.053openalex-snapshot
Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors
inferredcites →https://doi.org/10.1016/j.drudis.2011.10.024openalex-snapshot
Classification of scaffold-hopping approaches
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/10.1021/ci025589vopenalex-snapshot
Calculation of Intersubstituent Similarity Using R-Group Descriptors
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci0503964openalex-snapshot
The Quest for Bioisosteric Replacements
inferredcites →https://doi.org/10.1021/ci3000776openalex-snapshot
Pharmacophore Fingerprint-Based Approach to Binding Site Subpocket Similarity and Its Application to Bioisostere Replacement
inferredcites →https://doi.org/10.1021/ci300566nopenalex-snapshot
Encoding Protein–Ligand Interaction Patterns in Fingerprints and Graphs
inferredcites →https://doi.org/10.1021/ci8003094openalex-snapshot
Computational Fragment-Based Approach at PDB Scale by Protein Local Similarity
inferredcites →https://doi.org/10.1021/ci900078hopenalex-snapshot
Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening
inferredcites →https://doi.org/10.1021/ci960322fopenalex-snapshot
A New Algorithm for Exhaustive Ring Perception in a Molecular Graph
inferredcites →https://doi.org/10.1021/ci970429iopenalex-snapshot
RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/ci990263gopenalex-snapshot
Similarity Searching in Files of Three-Dimensional Chemical Structures: Analysis of the BIOSTER Database Using Two-Dimensional Fingerprints and Molecular Field Descriptors
inferredcites →https://doi.org/10.1021/jm0605233openalex-snapshot
Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure
inferredcites →https://doi.org/10.1021/jm100496jopenalex-snapshot
Ligand Specificity in Fragment-Based Drug Design
inferredcites →https://doi.org/10.1021/jm1013693openalex-snapshot
Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design
inferredcites →https://doi.org/10.1021/jm400223yopenalex-snapshot
VAMMPIRE: A Matched Molecular Pairs Database for Structure-Based Drug Design and Optimization
inferredcites →https://doi.org/10.1038/nchem.217openalex-snapshot
The rise of fragment-based drug discovery
inferredcites →https://doi.org/10.1093/bioinformatics/btr120openalex-snapshot
sc-PDB: a database for identifying variations and multiplicity of ‘druggable’ binding sites in proteins
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/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1093/nar/gks1059openalex-snapshot
SwissBioisostere: a database of molecular replacements for ligand design
inferredcites →https://doi.org/10.1093/nar/gks1068openalex-snapshot
Update on activities at the Universal Protein Resource (UniProt) in 2013
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527830497.ch1openalex-snapshot
Open Access Databases and Datasets for Computer‐Aided Drug Design. A Short List Used in the Molecular Modelling Group of the SIB
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/10.1016/b978-0-12-409547-2.12298-xopenalex-snapshot
Structural Chemogenomics Databases to Navigate Protein–Ligand Interaction Space
inferred← citeshttps://doi.org/10.1016/j.coph.2016.07.007openalex-snapshot
Molecular interaction fingerprint approaches for GPCR drug discovery
inferred← citeshttps://doi.org/10.1016/j.ejmech.2026.119041openalex-snapshot
SENSAAS-Bioisostere: A computational method for 3D shape-guided bioisosteric replacements and scaffold-hopping
inferred← citeshttps://doi.org/10.1016/j.jmb.2026.169741openalex-snapshot
FDB&FragLinker: A Large Fragment Database for Rapid Ligand Optimization Within Protein-Ligand Complex
inferred← citeshttps://doi.org/10.1016/j.medidd.2025.100231openalex-snapshot
NeBULA: a web-based novel drug design platform for up-to-date bioisosteric replacement
inferred← citeshttps://doi.org/10.1016/j.str.2018.02.009openalex-snapshot
Ranking Enzyme Structures in the PDB by Bound Ligand Similarity to Biological Substrates
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c00601openalex-snapshot
Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c02173openalex-snapshot
SiteMatcher: A Web Server for Structure-Based Drug Design Using Protein–Ligand Interaction Patterns
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00519openalex-snapshot
Structural Isosteres of Phosphate Groups in the Protein Data Bank
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c00422openalex-snapshot
A Computer Vision Approach to Align and Compare Protein Cavities: Application to Fragment-Based Drug Design
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.2c00931openalex-snapshot
Target-Focused Library Design by Pocket-Applied Computer Vision and Fragment Deep Generative Linking
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01756openalex-snapshot
Interactive and Versatile Navigation of Structural Databases
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5c01641openalex-snapshot
A Data-Driven Perspective on Bioisostere Evaluation: Mapping the Benzene Bioisostere Landscape with BioSTAR
inferred← citeshttps://doi.org/10.1021/acsmedchemlett.6c00246openalex-snapshot
Bicyclo[1.1.1]pentane as a Phenyl Isosteric Replacement
inferred← citeshttps://doi.org/10.1021/acsomega.3c02243openalex-snapshot
Identified Isosteric Replacements of Ligands’ Glycosyl Domain by Data Mining
inferred← citeshttps://doi.org/10.1038/s41598-023-29996-wopenalex-snapshot
Sunsetting Binding MOAD with its last data update and the addition of 3D-ligand polypharmacology tools
inferred← citeshttps://doi.org/10.1039/c9ra00190eopenalex-snapshot
Insights into the stereoselectivity of human SETD7 methyltransferase
inferred← citeshttps://doi.org/10.1080/03602532.2021.1874406openalex-snapshot
Molecular modeling approaches to address drug-metabolizing enzymes (DMEs) mediated chemoresistance: a review
inferred← citeshttps://doi.org/10.1093/nar/gkab1047openalex-snapshot
SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface
inferred← citeshttps://doi.org/10.1186/s13321-017-0251-xopenalex-snapshot
BoBER: web interface to the base of bioisosterically exchangeable replacements
inferred← citeshttps://doi.org/10.1186/s13321-021-00567-3openalex-snapshot
Unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor binding sites revealed by computer vision
inferred← citeshttps://doi.org/10.1186/s13321-024-00801-8openalex-snapshot
BioisoIdentifier: an online free tool to investigate local structural replacements from PDB
inferred← citeshttps://doi.org/10.1371/journal.pone.0223596openalex-snapshot
CavBench: A benchmark for protein cavity detection methods
inferred← citeshttps://doi.org/10.21203/rs.3.rs-955132/v1openalex-snapshot
Identification of Isosteric Replacements of Glycosyl Domain of Ligands by Data Mining
inferred← citeshttps://doi.org/10.2174/1573409915666190704093400openalex-snapshot
MolOpt: A Web Server for Drug Design using Bioisosteric Transformation
inferred← citeshttps://doi.org/10.5562/cca2993openalex-snapshot
Scaffold Hopping and Bioisosteric Replacements Based on Binding Site Alignments
inferred← citeshttps://doi.org/10.6084/m9.figshare.17073495openalex-snapshot
Additional file 1 of Unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor binding sites revealed by computer vision
inferred← citeshttps://doi.org/10.6084/m9.figshare.24995469openalex-snapshot
Additional file 1 of BioisoIdentifier: an online free tool to investigate local structural replacements from PDB
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