On the public citation graph
Alignment-Free Ultra-High-Throughput Comparison of Druggable Protein−Ligand Binding Sites
0 signed · 172 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/3527609164openalex-snapshot
Pharmacophores and Pharmacophore Searches
inferredcites →https://doi.org/10.1002/3527609164.ch9openalex-snapshot
Application of Pharmacophore Fingerprints to Structure‐Based Design and Data Mining
inferredcites →https://doi.org/10.1002/pro.5560050603openalex-snapshot
Derivation of 3D coordinate templates for searching structural databases: Application to ser‐His‐Asp catalytic triads in the serine proteinases and lipases
inferredcites →https://doi.org/10.1002/prot.10339openalex-snapshot
A new bioinformatic approach to detect common 3D sites in protein structures
inferredcites →https://doi.org/10.1002/prot.21092openalex-snapshot
Comparison of protein active site structures for functional annotation of proteins and drug design
inferredcites →https://doi.org/10.1002/prot.21780openalex-snapshot
Binding similarity network of ligand
inferredcites →https://doi.org/10.1002/prot.21858openalex-snapshot
A simple and fuzzy method to align and compare druggable ligand‐binding sites
inferredcites →https://doi.org/10.1006/jmbi.1996.0477openalex-snapshot
A Fast Flexible Docking Method using an Incremental Construction Algorithm
inferredcites →https://doi.org/10.1007/s10969-008-9055-6openalex-snapshot
Structural genomics is the largest contributor of novel structural leverage
inferredcites →https://doi.org/10.1016/j.jmb.2004.04.012openalex-snapshot
Recognition of Functional Sites in Protein Structures
inferredcites →https://doi.org/10.1016/j.jmb.2005.11.044openalex-snapshot
Fold Independent Structural Comparisons of Protein–Ligand Binding Sites for Exploring Functional Relationships
inferredcites →https://doi.org/10.1016/j.jmb.2007.01.086openalex-snapshot
Shape Variation in Protein Binding Pockets and their Ligands
inferredcites →https://doi.org/10.1016/j.jprot.2008.11.010openalex-snapshot
The UniProtKB/Swiss-Prot knowledgebase and its Plant Proteome Annotation Program
inferredcites →https://doi.org/10.1016/j.str.2004.02.005openalex-snapshot
Structural Basis for Allosteric Regulation of the Monomeric Allosteric Enzyme Human Glucokinase
inferredcites →https://doi.org/10.1016/j.str.2009.03.015openalex-snapshot
PSI-2: Structural Genomics to Cover Protein Domain Family Space
inferredcites →https://doi.org/10.1016/s0022-2836(02)00811-2openalex-snapshot
A New Method to Detect Related Function Among Proteins Independent of Sequence and Fold Homology
inferredcites →https://doi.org/10.1016/s0969-2126(97)00260-8openalex-snapshot
CATH – a hierarchic classification of protein domain structures
inferredcites →https://doi.org/10.1016/s1093-3263(02)00122-5openalex-snapshot
A simple method for visualizing the differences between related receptor sites
inferredcites →https://doi.org/10.1016/s1367-5931(00)00229-5openalex-snapshot
Chemogenomic approaches to drug discovery
inferredcites →https://doi.org/10.1021/ci050372xopenalex-snapshot
sc-PDB: an Annotated Database of Druggable Binding Sites from the Protein Data Bank
inferredcites →https://doi.org/10.1021/ci600253eopenalex-snapshot
A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application
inferredcites →https://doi.org/10.1021/ci800447gopenalex-snapshot
Development and Validation of a Novel Protein−Ligand Fingerprint To Mine Chemogenomic Space: Application to G Protein-Coupled Receptors and Their Ligands
inferredcites →https://doi.org/10.1021/ci900317xopenalex-snapshot
Rapid Comparison of Protein Binding Site Surfaces with Property Encoded Shape Distributions
inferredcites →https://doi.org/10.1021/ci960039gopenalex-snapshot
Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)
inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
inferredcites →https://doi.org/10.1021/jm0111043openalex-snapshot
Identification of Nonpeptidic Urotensin II Receptor Antagonists by Virtual Screening Based on a Pharmacophore Model Derived from Structure−Activity Relationships and Nuclear Magnetic Resonance Studies on Urotensin II
inferredcites →https://doi.org/10.1021/jm030912mopenalex-snapshot
Unexpected Nanomolar Inhibition of Carbonic Anhydrase by COX-2-Selective Celecoxib: New Pharmacological Opportunities Due to Related Binding Site Recognition
inferredcites →https://doi.org/10.1021/jm049092jopenalex-snapshot
Virtual Screening Workflow Development Guided by the “Receiver Operating Characteristic” Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 4
inferredcites →https://doi.org/10.1021/jm9806998openalex-snapshot
New 4-Point Pharmacophore Method for Molecular Similarity and Diversity Applications: Overview of the Method and Applications, Including a Novel Approach to the Design of Combinatorial Libraries Containing Privileged Substructures
inferredcites →https://doi.org/10.1023/a:1011318527094openalex-snapshot
Identification of protein functions from a molecular surface database, eF-site
inferredcites →https://doi.org/10.1038/372746a0openalex-snapshot
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HUMAN INSULIN RECEPTOR
inferredcites →https://doi.org/10.1038/sj.bjp.0707307openalex-snapshot
Chemogenomic approaches to rational drug design
inferredcites →https://doi.org/10.1073/pnas.0906146106openalex-snapshot
Fast screening of protein surfaces using geometric invariant fingerprints
inferredcites →https://doi.org/10.1093/bioinformatics/btp204openalex-snapshot
Prediction of sub-cavity binding preferences using an adaptive physicochemical structure representation
inferredcites →https://doi.org/10.1093/nar/gki414openalex-snapshot
ProFunc: a server for predicting protein function from 3D structure
inferredcites →https://doi.org/10.1093/nar/gkl813openalex-snapshot
CutDB: a proteolytic event database
inferredcites →https://doi.org/10.1093/nar/gkm993openalex-snapshot
Data growth and its impact on the SCOP database: new developments
inferredcites →https://doi.org/10.1093/protein/11.4.263openalex-snapshot
Molecular shape comparisons in searches for active sites and functional similarity
inferredcites →https://doi.org/10.1111/j.1742-4658.2005.04945.xopenalex-snapshot
Protein database searches using compositionally adjusted substitution matrices
inferredcites →https://doi.org/10.1142/9781848163324_0006openalex-snapshot
BSAlign: A RAPID GRAPH-BASED ALGORITHM FOR DETECTING LIGAND-BINDING SITES IN PROTEIN STRUCTURES
inferredcites →https://doi.org/10.1186/1471-2105-9-543openalex-snapshot
PocketMatch: A new algorithm to compare binding sites in protein structures
inferredcites →https://doi.org/10.1186/gb-2007-8-8-r176openalex-snapshot
Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery
inferredcites →https://doi.org/10.1351/pac199870051129openalex-snapshot
Glossary of terms used in medicinal chemistry (IUPAC Recommendations 1998)
inferredcites →https://doi.org/10.1371/journal.pcbi.1000387openalex-snapshot
Drug Discovery Using Chemical Systems Biology: Identification of the Protein-Ligand Binding Network To Explain the Side Effects of CETP Inhibitors
inferredcites →https://doi.org/10.1371/journal.pcbi.1000423openalex-snapshot
Drug Discovery Using Chemical Systems Biology: Repositioning the Safe Medicine Comtan to Treat Multi-Drug and Extensively Drug Resistant Tuberculosis
inferredcites →https://doi.org/10.1515/iupac.70.0050openalex-snapshot
Glossary of Terms Used in Medicinal Chemistry
inferredcites →https://doi.org/10.2174/1381612013397843openalex-snapshot
3-D Pharmacophores in Drug Discovery
inferredcites →https://doi.org/10.2174/157340908785747401openalex-snapshot
How to Measure the Similarity Between Protein Ligand-Binding Sites?
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527655984.ch01openalex-snapshot
Protein Structural Databases in Drug Discovery
inferred← citeshttps://doi.org/10.1002/9783527674381.ch4openalex-snapshot
Discovery Technologies for Drug Repurposing
inferred← citeshttps://doi.org/10.1002/9783527806539.ch6gopenalex-snapshot
Prediction, Analysis, and Comparison of Active Sites
inferred← citeshttps://doi.org/10.1002/ardp.202300661openalex-snapshot
SiteMine: Large‐scale binding site similarity searching in protein structure databases
inferred← citeshttps://doi.org/10.1002/cmdc.201600121openalex-snapshot
Comparing Drug Images and Repurposing Drugs with BioGPS and FLAPdock: The Thymidylate Synthase Case
inferred← citeshttps://doi.org/10.1002/minf.200900081openalex-snapshot
Structure‐Based Approaches to Target Fishing and Ligand Profiling
inferred← citeshttps://doi.org/10.1002/minf.201100112openalex-snapshot
Large‐Scale Evaluation of CavBase for Analyzing the Polypharmacology of Kinase Inhibitors
inferred← citeshttps://doi.org/10.1002/minf.201300054openalex-snapshot
Towards the Next Generation of Computational Chemogenomics Tools
inferred← citeshttps://doi.org/10.1002/minf.201300082openalex-snapshot
Identification of Similar Binding Sites to Detect Distant Polypharmacology
inferred← citeshttps://doi.org/10.1002/minf.201300137openalex-snapshot
Prediction of ProteinProtein Interaction Pocket Using L‐Shaped PLS Approach and Its Visualizations by Generative Topographic Mapping
inferred← citeshttps://doi.org/10.1002/minf.201400028openalex-snapshot
BioGPS: The Music for the Chemo‐ and Bioinformatics Walzer
inferred← citeshttps://doi.org/10.1002/minf.201500028openalex-snapshot
Acceleration of Binding Site Comparisons by Graph Partitioning
inferred← citeshttps://doi.org/10.1002/minf.201600102openalex-snapshot
Proteochemometric Modeling of the Interaction Space of Carbonic Anhydrase and its Inhibitors: An Assessment of Structure‐based and Sequence‐based Descriptors
inferred← citeshttps://doi.org/10.1002/minf.201700040openalex-snapshot
Statistical Profiling of One Promiscuous Protein Binding Site: Illustrated by Urokinase Catalytic Domain
inferred← citeshttps://doi.org/10.1002/prot.23103openalex-snapshot
Surface‐based protein binding pocket similarity
inferred← citeshttps://doi.org/10.1002/prot.23232openalex-snapshot
PDB‐scale analysis of known and putative ligand‐binding sites with structural sketches
inferred← citeshttps://doi.org/10.1002/prot.24205openalex-snapshot
Predicting enzymatic function from global binding site descriptors
inferred← citeshttps://doi.org/10.1002/prot.24753openalex-snapshot
BioGPS: Navigating biological space to predict polypharmacology, off-targeting, and selectivity
inferred← citeshttps://doi.org/10.1002/prot.26176openalex-snapshot
A fast protein binding site comparison algorithm for proteome‐wide protein function prediction and drug repurposing
inferred← citeshttps://doi.org/10.1002/wcms.1152openalex-snapshot
Chemoinformatics applications of cluster analysis
inferred← citeshttps://doi.org/10.1002/widm.1099openalex-snapshot
Graph‐based methods for protein structure comparison
inferred← citeshttps://doi.org/10.1007/7653_2018_18openalex-snapshot
Computational Studies on Natural Products for the Development of Multi-target Drugs
inferred← citeshttps://doi.org/10.1007/978-1-0716-4662-5_12openalex-snapshot
Exploring Binding Sites on Proteins for Function Prediction Using the PoSSuM Databases
inferred← citeshttps://doi.org/10.1007/978-3-031-43412-9_24openalex-snapshot
Co-supervised Pre-training of Pocket and Ligand
inferred← citeshttps://doi.org/10.1007/s10822-014-9743-1openalex-snapshot
Computational chemogenomics: Is it more than inductive transfer?
inferred← citeshttps://doi.org/10.1007/s10822-014-9788-1openalex-snapshot
Structural insights into binding of small molecule inhibitors to Enhancer of Zeste Homolog 2
inferred← citeshttps://doi.org/10.1016/b978-0-12-809633-8.20196-9openalex-snapshot
Binding Site Comparison – Software and Applications
inferred← citeshttps://doi.org/10.1016/b978-0-323-95502-7.00310-9openalex-snapshot
Binding Site Comparison – Software and Applications
inferred← citeshttps://doi.org/10.1016/bs.armc.2017.08.001openalex-snapshot
Kinase-Centric Computational Drug Development
inferred← citeshttps://doi.org/10.1016/j.cbpa.2021.09.001openalex-snapshot
Connecting chemistry and biology through molecular descriptors
inferred← citeshttps://doi.org/10.1016/j.chembiol.2011.09.012openalex-snapshot
Chemogenomic Discovery of Allosteric Antagonists at the GPRC6A Receptor
inferred← citeshttps://doi.org/10.1016/j.csbj.2014.05.004openalex-snapshot
Simple Ligand–Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison
inferred← citeshttps://doi.org/10.1016/j.drudis.2021.09.007openalex-snapshot
Machine-learning methods for ligand–protein molecular docking
inferred← citeshttps://doi.org/10.1016/j.jbiotec.2011.12.005openalex-snapshot
Structure-based computational analysis of protein binding sites for function and druggability prediction
inferred← citeshttps://doi.org/10.1016/j.jmb.2019.05.024openalex-snapshot
Updates to Binding MOAD (Mother of All Databases): Polypharmacology Tools and Their Utility in Drug Repurposing
inferred← citeshttps://doi.org/10.1016/j.jmgm.2019.107485openalex-snapshot
A platform for target prediction of phenotypic screening hit molecules
inferred← citeshttps://doi.org/10.1016/j.pbiomolbio.2014.05.006openalex-snapshot
Polypharmacology rescored: Protein–ligand interaction profiles for remote binding site similarity assessment
inferred← citeshttps://doi.org/10.1016/j.ymeth.2015.08.007openalex-snapshot
Protein ligand-binding site comparison by a reduced vector representation derived from multidimensional scaling of generalized description of binding sites
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00005openalex-snapshot
TF3P: Three-Dimensional Force Fields Fingerprint Learned by Deep Capsular Network
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c01335openalex-snapshot
MeCOM: A Method for Comparing Three-Dimensional Metalloenzyme Active Sites
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c01623openalex-snapshot
3D-Sensitive Encoding of Pharmacophore Features
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00333openalex-snapshot
Detection of Binding Site Molecular Interaction Field Similarities
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00627openalex-snapshot
Identification and Visualization of Kinase-Specific Subpockets
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00307openalex-snapshot
Identification of Protein–Ligand Binding Sites by Sequence Information and Ensemble Classifier
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00779openalex-snapshot
Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00832openalex-snapshot
Advances and Challenges in Computational Target Prediction
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00652openalex-snapshot
AlphaSpace 2.0: Representing Concave Biomolecular Surfaces Using β-Clusters
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.5b02041openalex-snapshot
Delineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint Approach
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b00078openalex-snapshot
Impact of Binding Site Comparisons on Medicinal Chemistry and Rational Molecular Design
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6c01050openalex-snapshot
Mapping Non-Homologous Pocket Compatibilities to Identify Hidden Drug-Target Relationships: A Pocket Hopping Framework
inferred← citeshttps://doi.org/10.1021/ci100210copenalex-snapshot
Pocket Similarity: Are α Carbons Enough?
inferred← citeshttps://doi.org/10.1021/ci100312topenalex-snapshot
Drug-like Density: A Method of Quantifying the “Bindability” of a Protein Target Based on a Very Large Set of Pockets and Drug-like Ligands from the Protein Data Bank
inferred← citeshttps://doi.org/10.1021/ci200166topenalex-snapshot
Enhancing the Accuracy of Chemogenomic Models with a Three-Dimensional Binding Site Kernel
inferred← citeshttps://doi.org/10.1021/ci300034xopenalex-snapshot
PROLIX: Rapid Mining of Protein–Ligand Interactions in Large Crystal Structure Databases
inferred← citeshttps://doi.org/10.1021/ci3000776openalex-snapshot
Pharmacophore Fingerprint-Based Approach to Binding Site Subpocket Similarity and Its Application to Bioisostere Replacement
inferred← citeshttps://doi.org/10.1021/ci300083ropenalex-snapshot
Protein–Ligand-Based Pharmacophores: Generation and Utility Assessment in Computational Ligand Profiling
inferred← citeshttps://doi.org/10.1021/ci300184xopenalex-snapshot
Comparison and Druggability Prediction of Protein–Ligand Binding Sites from Pharmacophore-Annotated Cavity Shapes
inferred← citeshttps://doi.org/10.1021/ci300196gopenalex-snapshot
Structural Insights into the Molecular Basis of the Ligand Promiscuity
inferred← citeshttps://doi.org/10.1021/ci300200ropenalex-snapshot
Predicting Ligand Binding Modes from Neural Networks Trained on Protein–Ligand Interaction Fingerprints
inferred← citeshttps://doi.org/10.1021/ci300244yopenalex-snapshot
Alignment-Independent Comparison of Binding Sites Based on DrugScore Potential Fields Encoded by 3D Zernike Descriptors
inferred← citeshttps://doi.org/10.1021/ci300469hopenalex-snapshot
Fast Protein Binding Site Comparison via an Index-Based Screening Technology
inferred← citeshttps://doi.org/10.1021/ci300523ropenalex-snapshot
Subpocket Analysis Method for Fragment-Based Drug Discovery
inferred← citeshttps://doi.org/10.1021/ci500553aopenalex-snapshot
Extraction of Protein Binding Pockets in Close Neighborhood of Bound Ligands Makes Comparisons Simple Due to Inherent Shape Similarity
inferred← citeshttps://doi.org/10.1021/ci5005898openalex-snapshot
Large-Scale Mining for Similar Protein Binding Pockets: With RAPMAD Retrieval on the Fly Becomes Real
inferred← citeshttps://doi.org/10.1021/ci5006004openalex-snapshot
PockDrug: A Model for Predicting Pocket Druggability That Overcomes Pocket Estimation Uncertainties
inferred← citeshttps://doi.org/10.1021/ja205504zopenalex-snapshot
Pyochelin Enantiomers and Their Outer-Membrane Siderophore Transporters in Fluorescent Pseudomonads: Structural Bases for Unique Enantiospecific Recognition
inferred← citeshttps://doi.org/10.1021/jm400378wopenalex-snapshot
KLIFS: A Knowledge-Based Structural Database To Navigate Kinase–Ligand Interaction Space
inferred← citeshttps://doi.org/10.1021/pr100719nopenalex-snapshot
Self-Organizing Fuzzy Graphs for Structure-Based Comparison of Protein Pockets
inferred← citeshttps://doi.org/10.1038/s41467-024-52146-3openalex-snapshot
Comprehensive detection and characterization of human druggable pockets through binding site descriptors
inferred← citeshttps://doi.org/10.1038/s41598-024-56893-7openalex-snapshot
VirtuousPocketome: a computational tool for screening protein–ligand complexes to identify similar binding sites
inferred← citeshttps://doi.org/10.1038/s41598-026-56505-6openalex-snapshot
In silico pipeline for GSK 3β inhibitor discovery in Alzheimer’s disease using pharmacophore screening, docking, ADME filtering, and MD validation
inferred← citeshttps://doi.org/10.1038/s42004-020-00435-5openalex-snapshot
Instantaneous generation of protein hydration properties from static structures
inferred← citeshttps://doi.org/10.1039/c1md00210dopenalex-snapshot
From the protein's perspective: the benefits and challenges of protein structure-based pharmacophore modeling
inferred← citeshttps://doi.org/10.1039/c2md20242eopenalex-snapshot
On the origins of drug polypharmacology
inferred← citeshttps://doi.org/10.1039/c4md00216dopenalex-snapshot
Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
inferred← citeshttps://doi.org/10.1039/c5mb00650copenalex-snapshot
An improved approach for predicting drug–target interaction: proteochemometrics to molecular docking
inferred← citeshttps://doi.org/10.1039/c9md00102fopenalex-snapshot
Binding site characterization – similarity, promiscuity, and druggability
inferred← citeshttps://doi.org/10.1080/17460441.2024.2376643openalex-snapshot
Polypharmacology prediction: the long road toward comprehensively anticipating small-molecule selectivity to de-risk drug discovery
inferred← citeshttps://doi.org/10.1088/2632-2153/abad88openalex-snapshot
Site2Vec: a reference frame invariant algorithm for vector embedding of protein–ligand binding sites
inferred← citeshttps://doi.org/10.1093/bib/bbae105openalex-snapshot
GPCR-IPL score: multilevel featurization of GPCR–ligand interaction patterns and prediction of ligand functions from selectivity to biased activation
inferred← citeshttps://doi.org/10.1093/bib/bbr011openalex-snapshot
Old friends in new guise: repositioning of known drugs with structural bioinformatics
inferred← citeshttps://doi.org/10.1093/bib/bby061openalex-snapshot
Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases
inferred← citeshttps://doi.org/10.1093/bioinformatics/btq288openalex-snapshot
PESDserv: a server for high-throughput comparison of protein binding site surfaces
inferred← citeshttps://doi.org/10.1093/database/bat049openalex-snapshot
CREDO: a structural interactomics database for drug discovery
inferred← citeshttps://doi.org/10.1093/database/bau029openalex-snapshot
PLIC: protein–ligand interaction clusters
inferred← citeshttps://doi.org/10.1093/glycob/cwaa062openalex-snapshot
A systematic analysis of protein–carbohydrate interactions in the Protein Data Bank
inferred← citeshttps://doi.org/10.1093/nar/gkr1130openalex-snapshot
PoSSuM: a database of similar protein-ligand binding and putative pockets
inferred← citeshttps://doi.org/10.1093/nar/gkr287openalex-snapshot
Swimming into peptidomimetic chemical space using pepMMsMIMIC
inferred← citeshttps://doi.org/10.1093/nar/gku1144openalex-snapshot
PoSSuM v.2.0: data update and a new function for investigating ligand analogs and target proteins of small-molecule drugs
inferred← citeshttps://doi.org/10.1109/tcbb.2014.2338308openalex-snapshot
Identification of Functionally Related Enzymes by Learning-to-Rank Methods
inferred← citeshttps://doi.org/10.1109/tcbb.2016.2625793openalex-snapshot
GPU-Based Point Cloud Superpositioning for Structural Comparisons of Protein Binding Sites
inferred← citeshttps://doi.org/10.1109/tkde.2016.2520484openalex-snapshot
CavSimBase: A Database for Large Scale Comparison of Protein Binding Sites
inferred← citeshttps://doi.org/10.1186/1758-2946-5-41openalex-snapshot
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets
inferred← citeshttps://doi.org/10.1186/s13321-016-0131-9openalex-snapshot
Geomfinder: a multi-feature identifier of similar three-dimensional protein patterns: a ligand-independent approach
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/s13321-023-00701-3openalex-snapshot
PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity
inferred← citeshttps://doi.org/10.1201/b15631-2openalex-snapshot
Chemogenomics Approaches for the Quantitative Comparison of Biological Targets
inferred← citeshttps://doi.org/10.1371/annotation/95078306-dc3b-4441-b2b1-dd986b734570openalex-snapshot
Correction: Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1002326openalex-snapshot
Using Multiple Microenvironments to Find Similar Ligand-Binding Sites: Application to Kinase Inhibitor Binding
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1003302openalex-snapshot
A Comprehensive Survey of Small-Molecule Binding Pockets in Proteins
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1006483openalex-snapshot
A benchmark driven guide to binding site comparison: An exhaustive evaluation using tailor-made data sets (ProSPECCTs)
inferred← citeshttps://doi.org/10.1371/journal.pone.0012214openalex-snapshot
Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements
inferred← citeshttps://doi.org/10.1371/journal.pone.0122416openalex-snapshot
Proteochemometric Modeling of the Antigen-Antibody Interaction: New Fingerprints for Antigen, Antibody and Epitope-Paratope Interaction
inferred← citeshttps://doi.org/10.1504/ijbra.2013.056076openalex-snapshot
Receptor-based pharmacophore tool for design and development of next-generation drugs
inferred← citeshttps://doi.org/10.2142/biophysico.13.0_139openalex-snapshot
Effects of the difference in similarity measures on the comparison of ligand-binding pockets using a reduced vector representation of pockets
inferred← citeshttps://doi.org/10.3390/ijms22042065openalex-snapshot
Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2
inferred← citeshttps://doi.org/10.3390/ijms232012462openalex-snapshot
Estimating the Similarity between Protein Pockets
inferred← citeshttps://doi.org/10.3390/molecules24142529openalex-snapshot
High Impact: The Role of Promiscuous Binding Sites in Polypharmacology
inferred← citeshttps://doi.org/10.3410/f.736506713.793564542openalex-snapshot
Faculty Opinions recommendation of Updates to binding MOAD (mother of all databases): polypharmacology tools and their utility in drug repurposing.
inferred← citeshttps://doi.org/10.4155/9781909453012openalex-snapshot
In Silico Drug Discovery and Design
inferred← citeshttps://doi.org/10.4155/ebo.13.183openalex-snapshot
Computational methods based on molecular shape
inferred← citeshttps://doi.org/10.4155/fmc-2016-0077openalex-snapshot
Comparing Atom-Based with Residue-Based Descriptors in Predicting Binding Site Similarity: Do Backbone Atoms Matter?
inferred← citeshttps://doi.org/10.4155/fmc.11.15openalex-snapshot
Recent Trends and Observations in the Design of High-Quality Screening Collections
inferred← citeshttps://doi.org/10.4155/fmc.12.147openalex-snapshot
Chemogenomics In Drug Discovery: Computational Methods Based On The Comparison Of Binding Sites
inferred← citeshttps://doi.org/10.4155/fmc.13.202openalex-snapshot
Predictive in silico Off-Target Profiling in Drug Discovery
inferred← citeshttps://doi.org/10.4155/fmc.14.3openalex-snapshot
Exploiting Structural Information for Drug-Target Assessment
inferred← citeshttps://doi.org/10.48550/arxiv.2001.02201openalex-snapshot
On-the-fly Prediction of Protein Hydration Densities and Free Energies using Deep Learning
inferred← citeshttps://doi.org/10.5772/intechopen.82374openalex-snapshot
Computational Deorphaning of Mycobacterium tuberculosis Targets
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/10.70675/00fff70azab21z46edz8364z60031c95c00fopenalex-snapshot
Applications of proteochemometrics (PCM) : from species extrapolation to cell-line sensitivity modelling
inferred← citeshttps://doi.org/10.70675/73f1b29dz81dbz44c0z81c3z1d79fdbeb226openalex-snapshot
Docking et Deep Learning : affinement de méthodologies in silico pour le développementde stratégies thérapeutiques innovantes
inferred← citeshttps://doi.org/10.70675/bb1c96c3zc9c7z436czb5daz11df54302370openalex-snapshot
Characterization of natural product biological imprints for computer-aided drug design applications
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.