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References from Novel dynamic residue network analysis approaches to study allosteric modulation: SARS-CoV-2 M pro and its evolutionary mutations as a case study. Local targets link to admitted publications; unresolved targets remain external evidence.
Inhibitors of SARS-CoV-2 entry: current and future opportunities
2020 · External reference
10.1038/s41586-020-2223-y
10.1038/s41586-020-2223-y · External reference
10.1056/nejmoa2001191
10.1056/nejmoa2001191 · External reference
10.1016/j.bcp.2021.114424
10.1016/j.bcp.2021.114424 · External reference
10.1021/acscentsci.0c00272
10.1021/acscentsci.0c00272 · External reference
10.1126/science.abb3405
10.1126/science.abb3405 · External reference
3CLpro inhibitors as a potential therapeutic option for COVID-19: available evidence and ongoing clinical trials
10.1016/j.phrs.2020.104779 · 2020 · External reference
Structure of main protease from human coronavirus NL63: insights for wide spectrum anti-coronavirus drug design
10.1038/srep22677 · 2016 · External reference
Screening of plant-based natural compounds as a potential COVID-19 main protease inhibitor: an in silico docking and molecular dynamics simulation approach
2020 · External reference
10.1126/science.abb4489
10.1126/science.abb4489 · External reference
10.1021/acs.jcim.0c00179
10.1021/acs.jcim.0c00179 · External reference
10.1002/anie.202010316
10.1002/anie.202010316 · External reference
10.1126/science.abf7945
10.1126/science.abf7945 · External reference
10.1021/acs.jcim.0c00634
10.1021/acs.jcim.0c00634 · External reference
SANCDB: A South African natural compound database
10.1186/s13321-015-0080-8 · 2015 · External reference
SANCDB: An update on South African natural compounds and their readily available analogs
10.1186/s13321-021-00514-2 · 2021 · External reference
10.1128/jvi.78.16.8824-8834.2004
10.1128/jvi.78.16.8824-8834.2004 · External reference
10.1016/b978-0-12-809633-8.21501-x
10.1016/b978-0-12-809633-8.21501-x · External reference
10.1021/acs.jcim.7b00630
10.1021/acs.jcim.7b00630 · External reference
10.1016/j.str.2020.12.008
10.1016/j.str.2020.12.008 · External reference
10.1021/acs.jpca.8b06843
10.1021/acs.jpca.8b06843 · External reference
How accurate and statistically robust are catalytic site predictions based on closeness centrality?
10.1186/1471-2105-8-153 · 2007 · External reference
10.1110/ps.062249106
10.1110/ps.062249106 · External reference
Eigenvector centrality for characterization of protein allosteric pathways
2018 · External reference
10.1016/j.csbj.2021.10.011 · Admitted local publication
How structural biologists and the protein data bank contributed to recent FDA new drug approvals
10.1016/j.str.2018.11.007 · 2019 · External reference
10.3390/ijms21030847
10.3390/ijms21030847 · External reference
10.1038/nrd3053
10.1038/nrd3053 · External reference
10.1016/j.sbi.2020.01.010
10.1016/j.sbi.2020.01.010 · External reference
10.1016/j.csbj.2020.05.009 · Admitted local publication
Effects of point mutations in the binding pocket of the mouse major urinary protein MUP20 on ligand affinity and specificity
10.1038/s41598-018-36391-3 · 2019 · External reference
Structure-based analysis of single nucleotide variants in the renin-angiotensinogen complex
10.1016/j.gheart.2017.01.006 · 2017 · External reference
10.1016/j.sbi.2014.11.005
10.1016/j.sbi.2014.11.005 · External reference
Unresolved reference
2019 · External reference
10.1021/acs.chemrev.5b00590
10.1021/acs.chemrev.5b00590 · External reference
Characterizing early drug resistance-related events using geometric ensembles from HIV protease dynamics
10.1038/s41598-018-36041-8 · 2018 · External reference
10.1007/978-1-4939-7000-1_26
10.1007/978-1-4939-7000-1_26 · External reference
Unresolved reference
External reference
10.1002/gch2.1018
10.1002/gch2.1018 · External reference
10.1016/s0076-6879(03)74020-8
10.1016/s0076-6879(03)74020-8 · External reference
10.1093/nar/gkn072
10.1093/nar/gkn072 · External reference
10.1093/nar/gkh381
10.1093/nar/gkh381 · External reference
AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
10.1016/0010-4655(95)00041-d · 1995 · External reference
Unresolved reference
External reference
10.1016/0040-4020(80)80168-2
10.1016/0040-4020(80)80168-2 · External reference
10.1002/jcc.21334
10.1002/jcc.21334 · External reference
10.1002/jcc.21334
10.1002/jcc.21334 · External reference
10.1002/jcc.21334
10.1002/jcc.21334 · External reference
Unresolved reference
External reference
Unresolved reference
External reference
10.1109/mcse.2007.55
10.1109/mcse.2007.55 · External reference
10.1016/j.softx.2015.06.001 · Admitted local publication
10.1186/1756-0500-5-367
10.1186/1756-0500-5-367 · External reference
10.1021/jp003020w
10.1021/jp003020w · External reference
On the Berendsen Thermostat
10.1080/08927029408021981 · 1994 · External reference
10.1063/1.328693
10.1063/1.328693 · External reference
10.1002/(sici)1096-987x(199709)18:12<1463::aid-jcc4>3.0.co;2-h
10.1002/(sici)1096-987x(199709)18:12<1463::aid-jcc4>3.0.co;2-h · External reference
10.1063/1.470043
10.1063/1.470043 · External reference
10.1016/j.csbj.2021.08.043 · Admitted local publication
10.1093/bioinformatics/btx349
10.1093/bioinformatics/btx349 · External reference
Modulation of human Hsp90α conformational dynamics by allosteric ligand interaction at the C-Terminal domain
10.1038/s41598-018-35835-0 · 2019 · External reference
Unresolved reference
External reference
10.1093/emboj/cdf327
10.1093/emboj/cdf327 · External reference
10.1007/978-3-642-03683-5_8
10.1007/978-3-642-03683-5_8 · External reference
10.1021/acscatal.0c03420
10.1021/acscatal.0c03420 · External reference
10.1074/jbc.m705240200
10.1074/jbc.m705240200 · External reference
10.1074/jbc.m311744200
10.1074/jbc.m311744200 · External reference
10.1111/j.1742-4658.2006.05130.x
10.1111/j.1742-4658.2006.05130.x · External reference
10.1128/jvi.02612-07
10.1128/jvi.02612-07 · External reference
10.1073/pnas.1835675100
10.1073/pnas.1835675100 · External reference
10.1371/journal.pbio.0030324
10.1371/journal.pbio.0030324 · External reference
10.1002/iub.2465
10.1002/iub.2465 · External reference
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
10.1038/s41467-020-18709-w · 2020 · External reference
GISAID: global initiative on sharing all influenza data – from vision to reality
2017 · External reference
AutoDock Version 4.2
2012 · External reference
Bufadienolides from Drimia Robusta and Urginea Epigea (Hyacinthaceae)
2005 · External reference
A Novel Homoisoflavonoid from Drimia Delagoensis (Urgineoideae: Hyacinthaceae)
10.1016/j.bse.2004.11.009 · 2005 · External reference
New sesquiterpenes from senecio oxyodontus
10.1016/s0031-9422(00)94649-1 · 1978 · External reference
Unresolved reference
External reference
10.1093/nar/gkr320
10.1093/nar/gkr320 · External reference
10.1074/jbc.ac120.016154
10.1074/jbc.ac120.016154 · External reference
Mechanism for controlling the dimer-monomer switch and coupling dimerization to catalysis of the severe acute respiratory syndrome coronavirus 3C-like protease
2008 · External reference
Abnormalities in hubs location and nodes centrality predict cognitive slowing and increased performance variability in first-episode schizophrenia patients
10.1038/s41598-019-46111-0 · 2019 · External reference
10.1016/b978-0-12-407908-3.00005-4
10.1016/b978-0-12-407908-3.00005-4 · External reference
10.3390/ijms22062861
10.3390/ijms22062861 · External reference
10.3390/molecules24010188
10.3390/molecules24010188 · External reference
Mechanism of action of non-synonymous single nucleotide variations associated with α-carbonic anhydrase II deficiency
10.3390/molecules24213987 · 2019 · External reference
10.1016/j.jmb.2004.10.055
10.1016/j.jmb.2004.10.055 · External reference
Improved prediction of critical residues for protein function based on network and phylogenetic analyses
10.1186/1471-2105-6-213 · 2005 · External reference
10.1016/bs.aivir.2016.08.008
10.1016/bs.aivir.2016.08.008 · External reference
10.1021/acs.biochem.0c00462
10.1021/acs.biochem.0c00462 · External reference
10.1016/j.jmb.2019.07.012
10.1016/j.jmb.2019.07.012 · External reference
10.1016/j.csbj.2020.01.002 · Admitted local publication
10.1016/j.tibs.2016.07.002
10.1016/j.tibs.2016.07.002 · External reference
10.1038/s41467-018-06403-x
10.1038/s41467-018-06403-x · External reference
Computational assessment of combination therapy of androgen receptor-targeting compounds
10.1021/acs.jcim.0c01194 · 2021 · External reference
10.1016/j.ijbiomac.2021.01.086
10.1016/j.ijbiomac.2021.01.086 · External reference
10.1016/j.biochi.2021.05.001
10.1016/j.biochi.2021.05.001 · External reference
10.3390/ijms22042138
10.3390/ijms22042138 · External reference
10.3390/molecules25040904
10.3390/molecules25040904 · External reference
10.1111/ahg.12350
10.1111/ahg.12350 · External reference
Comparative dynamics and functional mechanisms of the CYP17A1 tunnels regulated by ligand binding
10.1021/acs.jcim.0c00447 · 2020 · External reference
10.1039/d0ra04683c
10.1039/d0ra04683c · External reference
Molecular modeling study of C-Kit/Pdgfrα dual inhibitors for the treatment of gastrointestinal stromal tumors
10.3390/ijms21218232 · 2020 · External reference
