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PockDrug: A Model for Predicting Pocket Druggability That Overcomes Pocket Estimation Uncertainties
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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/prot.21858openalex-snapshot
A simple and fuzzy method to align and compare druggable ligand‐binding sites
inferredcites →https://doi.org/10.1016/0014-5793(94)00648-2openalex-snapshot
Amino acid preferences at protein binding sites
inferredcites →https://doi.org/10.1016/0022-2836(82)90515-0openalex-snapshot
A simple method for displaying the hydropathic character of a protein
inferredcites →https://doi.org/10.1016/j.cbpa.2011.05.020openalex-snapshot
Structure-based druggability assessment — identifying suitable targets for small molecule therapeutics
inferredcites →https://doi.org/10.1016/j.drudis.2010.05.015openalex-snapshot
Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2013.07.003openalex-snapshot
Druggability of the enzymes of the non-mevalonate-pathway
inferredcites →https://doi.org/10.1016/j.jbiotec.2011.12.005openalex-snapshot
Structure-based computational analysis of protein binding sites for function and druggability prediction
inferredcites →https://doi.org/10.1016/s1359-6446(03)02902-7openalex-snapshot
Rediscovering the sweet spot in drug discovery
inferredcites →https://doi.org/10.1016/s1574-1400(05)01011-xopenalex-snapshot
Capter 11 Filtering in Drug Discovery
inferredcites →https://doi.org/10.1016/s1574-1400(08)00002-9openalex-snapshot
Predicting Selectivity and Druggability in Drug Discovery
inferredcites →https://doi.org/10.1021/ci00008a012openalex-snapshot
Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds
inferredcites →https://doi.org/10.1021/ci1001263openalex-snapshot
Predicting Polypharmacology by Binding Site Similarity: From Kinases to the Protein Universe
inferredcites →https://doi.org/10.1021/ci100210copenalex-snapshot
Pocket Similarity: Are α Carbons Enough?
inferredcites →https://doi.org/10.1021/ci100241yopenalex-snapshot
Analyzing the Topology of Active Sites: On the Prediction of Pockets and Subpockets
inferredcites →https://doi.org/10.1021/ci200266dopenalex-snapshot
DrugPred: A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set
inferredcites →https://doi.org/10.1021/ci200454vopenalex-snapshot
Combining Global and Local Measures for Structure-Based Druggability Predictions
inferredcites →https://doi.org/10.1021/ci200613bopenalex-snapshot
Development of a Rule-Based Method for the Assessment of Protein Druggability
inferredcites →https://doi.org/10.1021/ci300184xopenalex-snapshot
Comparison and Druggability Prediction of Protein–Ligand Binding Sites from Pharmacophore-Annotated Cavity Shapes
inferredcites →https://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
inferredcites →https://doi.org/10.1021/ci800324mopenalex-snapshot
Identifying and Characterizing Binding Sites and Assessing Druggability
inferredcites →https://doi.org/10.1021/ci900349yopenalex-snapshot
Alignment-Free Ultra-High-Throughput Comparison of Druggable Protein−Ligand Binding Sites
inferredcites →https://doi.org/10.1021/ct501072topenalex-snapshot
A Collective Variable for the Rapid Exploration of Protein Druggability
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/jm070095gopenalex-snapshot
Transient Pockets on Protein Surfaces Involved in Protein−Protein Interaction
inferredcites →https://doi.org/10.1021/jm100574mopenalex-snapshot
Understanding and Predicting Druggability. A High-Throughput Method for Detection of Drug Binding Sites
inferredcites →https://doi.org/10.1021/jm501045eopenalex-snapshot
Design, Synthesis, and Structure–Activity and Structure–Pharmacokinetic Relationship Studies of Novel [6,6,5] Tricyclic Fused Oxazolidinones Leading to the Discovery of a Potent, Selective, and Orally Bioavailable FXa Inhibitor
inferredcites →https://doi.org/10.1038/nbt1273openalex-snapshot
Structure-based maximal affinity model predicts small-molecule druggability
inferredcites →https://doi.org/10.1038/srep03237openalex-snapshot
A molecular pathway for the egress of ammonia produced by nitrogenase
inferredcites →https://doi.org/10.1093/bioinformatics/btl079openalex-snapshot
Predicting protein interaction sites: binding hot-spots in protein–protein and protein–ligand interfaces
inferredcites →https://doi.org/10.1093/bioinformatics/btt024openalex-snapshot
APoc: large-scale identification of similar protein pockets
inferredcites →https://doi.org/10.1093/nar/gki524openalex-snapshot
TM-align: a protein structure alignment algorithm based on the TM-score
inferredcites →https://doi.org/10.1111/j.1469-1809.1936.tb02137.xopenalex-snapshot
THE USE OF MULTIPLE MEASUREMENTS IN TAXONOMIC PROBLEMS
inferredcites →https://doi.org/10.1186/1471-2105-10-168openalex-snapshot
Fpocket: An open source platform for ligand pocket detection
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/10.1186/2251-6581-13-13openalex-snapshot
Tertiary structure prediction and identification of druggable pocket in the cancer biomarker – Osteopontin-c
inferredcites →https://doi.org/10.1371/journal.pcbi.1003302openalex-snapshot
A Comprehensive Survey of Small-Molecule Binding Pockets in Proteins
inferredcites →https://doi.org/10.1371/journal.pcbi.1003589openalex-snapshot
Knowledge-based Fragment Binding Prediction
inferredcites →https://doi.org/10.1371/journal.pntd.0002628openalex-snapshot
Cofactor-Independent Phosphoglycerate Mutase from Nematodes Has Limited Druggability, as Revealed by Two High-Throughput Screens
inferredcites →https://doi.org/10.1371/journal.pone.0063730openalex-snapshot
Insights into an Original Pocket-Ligand Pair Classification: A Promising Tool for Ligand Profile Prediction
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9781118681121.ch2openalex-snapshot
A Structural View on Druggability
inferred← citeshttps://doi.org/10.1002/9781394249190.ch4openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/bit.28495openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cphc.202500907openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/minf.201700025openalex-snapshot
Investigating the Importance of the Pocket‐estimation Method in Pocket‐based Approaches: An Illustration Using Pocket‐ligand Classification
inferred← citeshttps://doi.org/10.1002/minf.201700040openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/pro.4406openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/pro.4902openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/prot.26735openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/slct.202103903openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/wcms.1676openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-4939-8955-3_1openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-019-00197-wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-021-00390-wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-026-00949-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10989-020-10076-wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s13337-026-00972-yopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.biochi.2023.04.004openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bios.2026.118584openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.chroma.2020.461237openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2017.08.008openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2026.109275openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.compbiomed.2022.106313openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.drudis.2016.11.021openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.drudis.2020.02.006openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jchromb.2019.121927openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.micpath.2025.107937openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.pharmthera.2017.02.034openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.rechem.2025.102317openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.sbi.2025.103152openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ygeno.2019.10.009openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.bioconjchem.9b00703openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.0c01494openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00140openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00336openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.5c01098openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.6c01350openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00332openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00652openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b00725openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/s41467-024-48592-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/s41598-018-24124-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/s44321-026-00415-7openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/sym14020362openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/v13112117openalex-snapshot
Facilitating Antiviral Drug Discovery Using Genetic and Evolutionary Knowledge
inferred← citeshttps://doi.org/10.3390/v15102073openalex-snapshot
Comparative Analysis of Conformational Dynamics and Systematic Characterization of Cryptic Pockets in the SARS-CoV-2 Omicron BA.2, BA.2.75 and XBB.1 Spike Complexes with the ACE2 Host Receptor: Confluence of Binding and Structural Plasticity in Mediating Networks of Conserved Allosteric Sites
inferred← citeshttps://doi.org/10.34133/csbj.0022openalex-snapshot
Eigenvalue Ratios Reveal Shared Binding Pocket Shapes in RNA and Protein Structures
inferred← citeshttps://doi.org/10.47749/t/unicamp.2021.1238337openalex-snapshot
Triagem virtual e validação experimental de inibidores das caseínas quinases (CKs) de Plasmodium spp. com potencial antimalárico
inferred← citeshttps://doi.org/10.48048/wjst.2021.22197openalex-snapshot
Xylia xylocarpa (Roxb.) Taub. Leaves Ameliorates Inflammation and Pain in Experimental Mice and Computer-Aided Model
inferred← citeshttps://doi.org/10.64898/2026.08.23.746493openalex-snapshot
BfBio: a graph-based tool for the prediction of Angiogenic Stalk Cell genes using a Personalized PageRank algorithm
inferred← citeshttps://doi.org/10.70675/434de13dz7ff8z46beza24ezfaf0740f7deaopenalex-snapshot
Structure-based design of antiviral drugs against respiratory viruses using in silico approaches
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