Abstract
Michael Glenister, Thulani Tshabalala, Özlem Taştan Bishop
Abstract
Authors
Institutions
Provenance
crossref
Confidence 100%
pubmed
Confidence 98%
europepmc
Confidence 96%
openalex
Confidence 95%
unpaywall
Confidence 95%
doaj
Confidence 92%
datacite
Confidence 0%
Unresolved referenced work
2013
NAPS update: network analysis of molecular dynamics data and protein–nucleic acid complexes
10.1093/nar/gkz399 · 2019
ANCA: A web server for amino acid networks construction and analysis
2020
10.7717/peerj.5998
10.7717/peerj.5998
MDN: A web portal for network analysis of molecular dynamics simulations
10.1016/j.bpj.2015.06.013 · 2015
Structure-based analysis of single nucleotide variants in the renin-angiotensinogen complex
10.1016/j.gheart.2017.01.006 · 2017
10.1016/j.gheart.2017.01.009
10.1016/j.gheart.2017.01.009
10.1021/acs.jcim.6b00775
10.1021/acs.jcim.6b00775
10.1093/bioinformatics/btx349
10.1093/bioinformatics/btx349
MODE-TASK: large-scale protein motion tools
10.1093/bioinformatics/bty427 · 2018
Integration of network models and evolutionary analysis into high-throughput modeling of protein dynamics and allosteric regulation: theory, tools and applications
2019
10.1007/978-1-62703-658-0_11
10.1007/978-1-62703-658-0_11
Unraveling the motions behind Enterovirus 71 uncoating
10.1016/j.bpj.2017.12.021 · 2018
10.1039/d0ra04683c
10.1039/d0ra04683c
Molecular modeling study of c-KIT/PDGFRα dual inhibitors for the treatment of gastrointestinal stromal tumors
10.3390/ijms21218232 · 2020
Computational assessment of combination therapy of androgen receptor-targeting compounds
10.1021/acs.jcim.0c01194 · 2021
10.1016/j.ijbiomac.2021.01.086
10.1016/j.ijbiomac.2021.01.086
10.1021/acs.jafc.1c00721
10.1021/acs.jafc.1c00721
10.3390/molecules24213987
10.3390/molecules24213987
Probing the structural dynamics of the Plasmodium falciparum tunneling-fold enzyme 6-pyruvoyl tetrahydropterin synthase to reveal allosteric drug targeting sites
10.3389/fmolb.2020.575196 · 2020
Dynamic cross correlation analysis of Thermus thermophilus alkaline phosphatase and determinants of thermostability
10.1016/j.bbagen.2021.129895 · 2021
10.1016/j.jmb.2021.167061
10.1016/j.jmb.2021.167061
A South African natural compound, for Hsp72 and Hsc70 allosteric modulation: combined study of molecular modeling and dynamic residue network analysis
10.3390/molecules24010188 · 2019
10.1021/acs.jcim.7b00630
10.1021/acs.jcim.7b00630
Identification of novel potential inhibitors of pteridine reductase 1 in Trypanosoma brucei via computational structure-based approaches and in vitro inhibition assays
2019
Modulation of human Hsp90α conformational dynamics by allosteric ligand interaction at the C-terminal domain
10.1038/s41598-018-35835-0 · 2019
10.3390/ijms22042138
10.3390/ijms22042138
10.1021/acs.jcim.0c00634
10.1021/acs.jcim.0c00634
In silico investigation of potential applications of gamma carbonic anhydrases as catalysts of CO2 biomineralization processes: a visit to the thermophilic bacteria Persephonella hydrogeniphila, Persephonella marina, Thermosulfidibacter takaii, and Thermu
10.3390/ijms22062861 · 2021
10.3390/molecules25040904
10.3390/molecules25040904
Signal propagation in proteins and relation to equilibrium fluctuations
10.1371/journal.pcbi.0030172 · 2007
ENCoM server: exploring protein conformational space and the effect of mutations on protein function and stability
10.1093/nar/gkv343 · 2015
10.1002/pro.3942
10.1002/pro.3942
10.1093/bib/bbz141
10.1093/bib/bbz141
10.1093/bioinformatics/btl461
10.1093/bioinformatics/btl461
10.1016/j.bpj.2015.08.015
10.1016/j.bpj.2015.08.015
3.0: A tool for the analysis of transport pathways in dynamic protein structures
10.1371/journal.pcbi.1002708 · 2012
Unresolved referenced work
Kept as external metadata until matched
Unresolved referenced work
Kept as external metadata until matched
Unresolved referenced work
Kept as external metadata until matched
A structural view of the action of Escherichia coli (lac Z) β-galactosidase
10.1021/bi011727i · doi-reference
Differentiating a ligand’s chemical requirements for allosteric interactions from those for protein binding. Phenylalanine inhibition of pyruvate kinase
10.1021/bi0524262 · doi-reference
10.1002/pro.5560010811
10.1002/pro.5560010811 · doi-reference
10.3390/v1031110
10.3390/v1031110 · doi-reference
Highly resistant HIV-1 proteases and strategies for their inhibition
10.4155/fmc.15.44 · doi-reference
10.1016/j.str.2005.11.005
10.1016/j.str.2005.11.005 · doi-reference
10.1371/journal.pcbi.1002154
10.1371/journal.pcbi.1002154 · doi-reference
Manipulation of conformational change in proteins by single-residue perturbations
10.1016/j.bpj.2010.05.020 · doi-reference
10.1371/journal.pcbi.1000544
10.1371/journal.pcbi.1000544 · doi-reference
10.1002/gch2.1018
10.1002/gch2.1018 · doi-reference
10.1073/pnas.0508452103
10.1073/pnas.0508452103 · doi-reference
Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis—application to the HIV-1 protease
10.1039/b919148h · doi-reference
10.1126/science.2548279
10.1126/science.2548279 · doi-reference
Improved prediction of critical residues for protein function based on network and phylogenetic analyses
10.1186/1471-2105-6-213 · doi-reference
10.1016/j.jmb.2004.10.055
10.1016/j.jmb.2004.10.055 · doi-reference
Comparative dynamics and functional mechanisms of the CYP17A1 tunnels regulated by ligand binding
10.1021/acs.jcim.0c00447 · doi-reference
Characterizing early drug resistance-related events using geometric ensembles from HIV protease dynamics
10.1038/s41598-018-36041-8 · doi-reference
10.1038/s41586-020-2649-2
10.1038/s41586-020-2649-2 · doi-reference
DynaMut: predicting the impact of mutations on protein conformation, flexibility and stability
10.1093/nar/gky300 · doi-reference
10.1016/j.biochi.2021.05.001
10.1016/j.biochi.2021.05.001 · doi-reference
10.3390/ijms21113803
10.3390/ijms21113803 · doi-reference
10.1016/s0006-3495(04)74086-2
10.1016/s0006-3495(04)74086-2 · doi-reference
10.1021/ct400341p
10.1021/ct400341p · doi-reference
10.1016/0263-7855(96)00018-5
10.1016/0263-7855(96)00018-5 · doi-reference
10.1002/jcc.21787
10.1002/jcc.21787 · doi-reference
NGL viewer: web-based molecular graphics for large complexes
10.1093/bioinformatics/bty419 · doi-reference
MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations
10.1093/bioinformatics/bts139 · doi-reference
CABS-flex: server for fast simulation of protein structure fluctuations
10.1093/nar/gkt332 · doi-reference
10.1371/journal.pone.0134273
10.1371/journal.pone.0134273 · doi-reference