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References from Protein allosteric site identification using machine learning and per amino acid residue reported internal protein nanoenvironment descriptors. Local targets link to admitted publications; unresolved targets remain external evidence.
What are the current trends in G protein-coupled receptor targeted drug discovery?
10.1080/17460441.2023.2216014 · 2023 · External reference
10.1021/acs.jcim.3c00168
10.1021/acs.jcim.3c00168 · External reference
Computational analysis of the interactions between Ebselen and derivatives with the active site of the main protease from SARS-CoV-2
10.1016/j.compbiolchem.2023.107956 · 2023 · External reference
Mechanistic Insight into SARS-CoV-2 Mpro Inhibition by Organoselenides: the ebselen case study
10.3390/app11146291 · 2021 · External reference
Reactivity and binding mode of disulfiram, its metabolites, and derivatives in SARS-CoV-2 PLpro: insights from computational chemistry studies
10.1007/s00894-022-05341-2 · 2022 · External reference
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10.2174/1570163819666221010115118
10.2174/1570163819666221010115118 · External reference
10.1016/j.sbi.2024.102774
10.1016/j.sbi.2024.102774 · External reference
10.1371/journal.pcbi.1004678
10.1371/journal.pcbi.1004678 · External reference
10.1093/bioinformatics/btx430
10.1093/bioinformatics/btx430 · External reference
10.1093/nar/gky1028
10.1093/nar/gky1028 · External reference
Allosite: a method for predicting allosteric sites
10.1093/bioinformatics/btt399 · 2013 · External reference
Fpocket: an open source platform for ligand pocket detection
10.1186/1471-2105-10-168 · 2009 · External reference
AlloPred: Prediction of allosteric pockets on proteins using normal mode perturbation analysis
10.1186/s12859-015-0771-1 · 2015 · External reference
Improved method for the identification and validation of allosteric sites
10.1021/acs.jcim.7b00014 · 2017 · External reference
Node-weighted amino acid network strategy for characterization and identification of protein functional residues
10.1021/acs.jcim.8b00146 · 2018 · External reference
10.1002/prot.25749
10.1002/prot.25749 · External reference
10.1093/nar/gkq1022
10.1093/nar/gkq1022 · External reference
ASD2023: towards the integrating landscapes of allosteric knowledgebase
10.1093/nar/gkad915 · 2024 · External reference
10.1088/2632-2153/abe6d6
10.1088/2632-2153/abe6d6 · External reference
CASBench: a benchmarking set of proteins with annotated catalytic and allosteric sites in their structures
10.32607/20758251-2019-11-1-74-80 · 2019 · External reference
ASBench: benchmarking sets for allosteric discovery
10.1093/bioinformatics/btv169 · 2015 · External reference
STING Report: convenient web-based application for graphic and tabular presentations of protein sequence, structure and function descriptors from the STING database
10.1093/nar/gki111 · 2005 · External reference
The diamond STING server
10.1093/nar/gki397 · 2005 · External reference
STING Contacts: a web-based application for identification and analysis of amino acid contacts within protein structure and across protein interfaces
10.1093/bioinformatics/bth203 · 2004 · External reference
ISMB 2006
10.1371/journal.pcbi.0020011 · 2006 · External reference
10.1002/prot.22187
10.1002/prot.22187 · External reference
Improving predictions of protein-protein interfaces by combining amino acid-specific classifiers based on structural and physicochemical descriptors with their weighted neighbor averages
10.1371/journal.pone.0087107 · 2014 · External reference
STING Millennium: a web-based suite of programs for comprehensive and simultaneous analysis of protein structure and sequence
10.1093/nar/gkg578 · 2003 · External reference
Study of specific nanoenvironments containing α-helices in all-α and (α+β)+(α/β) proteins
10.1371/journal.pone.0200018 · 2018 · External reference
STING_RDB: a relational database of structural parameters for protein analysis with support for data warehousing and data mining
2007 · External reference
The Star STING server The Star STING server: a multiplatform environment for protein structure analysis
2006 · External reference
Unresolved reference
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10.1038/s41598-017-01498-6
10.1038/s41598-017-01498-6 · External reference
10.3390/molecules27196178/s1
10.3390/molecules27196178/s1 · External reference
10.1186/1471-2105-5-107
10.1186/1471-2105-5-107 · External reference
Unresolved reference
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Unresolved reference
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Feature-engine: a python package for feature engineering for machine learning
10.21105/joss.03642 · 2021 · External reference
10.25080/majora-92bf1922-00a
10.25080/majora-92bf1922-00a · External reference
10.1145/3292500.3330701
10.1145/3292500.3330701 · External reference
10.1186/s13321-021-00547-7/figures/15
10.1186/s13321-021-00547-7/figures/15 · External reference
Unresolved reference
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ALLO: a tool to discriminate and prioritize allosteric pockets
10.1111/cbdd.13161 · 2018 · External reference
10.1093/nar/gkad303
10.1093/nar/gkad303 · External reference
PASSer2.0: accurate prediction of protein allosteric sites through automated machine learning
10.3389/fmolb.2022.879251 · 2022 · External reference
PASSerRank: prediction of allosteric sites with learning to rank
10.1002/jcc.27193 · 2023 · External reference
AlloReverse: multiscale understanding among hierarchical allosteric regulations
10.1093/nar/gkad279 · 2023 · External reference
10.1063/5.0138279/2881645
10.1063/5.0138279/2881645 · External reference
10.1093/bioinformatics/bty761
10.1093/bioinformatics/bty761 · External reference
10.2147/dddt.s370574
10.2147/dddt.s370574 · External reference
10.1007/s00894-024-05842-2/figures/9
10.1007/s00894-024-05842-2/figures/9 · External reference
10.1016/j.jmb.2022.167692
10.1016/j.jmb.2022.167692 · External reference
10.1371/journal.pcbi.1006228
10.1371/journal.pcbi.1006228 · External reference
10.1021/acs.chemrev.5b00590
10.1021/acs.chemrev.5b00590 · External reference
10.1371/journal.pone.0113488
10.1371/journal.pone.0113488 · External reference
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