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References from Valproate-coenzyme A conjugate blocks opening of receptor binding domains in the spike trimer of SARS-CoV-2 through an allosteric mechanism. Local targets link to admitted publications; unresolved targets remain external evidence.
10.1146/annurev-virology-110615-042301
10.1146/annurev-virology-110615-042301 · External reference
10.1038/s41579-021-00573-0
10.1038/s41579-021-00573-0 · External reference
10.1021/acscentsci.0c01056
10.1021/acscentsci.0c01056 · External reference
10.1038/s41586-020-2665-2
10.1038/s41586-020-2665-2 · External reference
10.1038/s41467-022-28882-9
10.1038/s41467-022-28882-9 · External reference
Conformational dynamics and allosteric modulation of the SARS-CoV-2 spike
2022 · External reference
Cryo-EM structures of SARS-CoV-2 spike without and with ACE2 reveal a pH-dependent switch to mediate endosomal positioning of receptor-binding domains
10.1016/j.chom.2020.11.004 · 2020 · External reference
10.1038/s41579-020-00468-6
10.1038/s41579-020-00468-6 · External reference
SARS-CoV-2 and the host cell: a tale of interactions
10.3389/fviro.2021.815388 · 2022 · External reference
10.1126/science.abd3255
10.1126/science.abd3255 · External reference
Basic pharmacology of valproate: a review after 35 years of clinical use for the treatment of epilepsy
10.2165/00023210-200216100-00003 · 2002 · External reference
10.1016/j.tips.2009.07.002
10.1016/j.tips.2009.07.002 · External reference
Sodium-glucose co-transporter inhibitors in insulin-treated diabetes: a meta-analysis
10.1530/eje-20-1484 · 2021 · External reference
Valproate: past, present, and future
10.1111/j.1527-3458.2003.tb00249.x · 2003 · External reference
10.1128/jvi.00203-21
10.1128/jvi.00203-21 · External reference
SARS-CoV-2 spreads through cell-to-cell transmission
10.1073/pnas.2111400119 · 2022 · External reference
Antibody signature induced by SARS-CoV-2 spike protein immunogens in rabbits
10.1126/scitranslmed.abc3539 · 2020 · External reference
Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein
2021 · External reference
Molecular docking study of potential phytochemicals and their effects on the complex of SARS-CoV2 spike protein and human ACE2
10.1038/s41598-020-74715-4 · 2020 · External reference
10.1016/j.isci.2020.102021
10.1016/j.isci.2020.102021 · External reference
10.1038/nature17200
10.1038/nature17200 · External reference
10.1016/j.cell.2020.11.032
10.1016/j.cell.2020.11.032 · External reference
Unresolved reference
External reference
10.1021/acs.jpcb.0c04553
10.1021/acs.jpcb.0c04553 · External reference
10.1021/ct300203w
10.1021/ct300203w · External reference
10.1021/ci3001277
10.1021/ci3001277 · External reference
High-throughput and virtual screening: core lead discovery technologies move towards integration
10.1016/s1359-6446(00)80056-2 · 2000 · External reference
10.1021/jm051256o
10.1021/jm051256o · External reference
10.1021/jm030644s
10.1021/jm030644s · External reference
10.1021/jm0306430
10.1021/jm0306430 · External reference
10.1016/j.celrep.2021.110156
10.1016/j.celrep.2021.110156 · External reference
Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants
10.1038/s41467-022-28324-6 · 2022 · External reference
10.1016/j.csbj.2020.07.017 · Admitted local publication
10.1038/nmeth.4067
10.1038/nmeth.4067 · External reference
An improved generalized AMBER force field (GAFF) for urea
10.1007/s00894-010-0650-7 · 2010 · External reference
10.1002/jcc.20289
10.1002/jcc.20289 · External reference
Scalable molecular dynamics on CPU and GPU architectures with NAMD
10.1063/5.0014475 · 2020 · External reference
10.1201/b21930-5
10.1201/b21930-5 · External reference
10.1016/0263-7855(96)00018-5
10.1016/0263-7855(96)00018-5 · External reference
Generalized verlet algorithm for ffficient molecular dynamics simulations with long-range interactions
10.1080/08927029108022142 · 1991 · External reference
10.1021/acs.biochem.1c00755
10.1021/acs.biochem.1c00755 · External reference
10.1021/acs.biochem.2c00127
10.1021/acs.biochem.2c00127 · External reference
10.1021/acs.biochem.2c00341
10.1021/acs.biochem.2c00341 · External reference
10.1107/s0907444910045749
10.1107/s0907444910045749 · External reference
10.1107/s0907444904019158
10.1107/s0907444904019158 · External reference
10.1107/s0907444909052925
10.1107/s0907444909052925 · External reference
10.1107/s0907444996012255
10.1107/s0907444996012255 · External reference
Unresolved reference
External reference
10.1016/0022-2836(71)90324-x
10.1016/0022-2836(71)90324-x · External reference
gmx_MMPBSA: a new tool to perform end-state free energy calculations with GROMACS
10.1021/acs.jctc.1c00645 · 2021 · External reference
10.1016/j.jsb.2022.107902
10.1016/j.jsb.2022.107902 · External reference
10.1002/jcc.20084
10.1002/jcc.20084 · External reference
10.1038/s41557-021-00707-0
10.1038/s41557-021-00707-0 · External reference
Structural insights into the π-π-π stacking mechanism and DNA-binding activity of the YEATS domain
10.1038/s41467-018-07072-6 · 2018 · External reference
10.1073/pnas.1722329115
10.1073/pnas.1722329115 · External reference
10.1016/s1074-5521(02)00245-4
10.1016/s1074-5521(02)00245-4 · External reference
10.1073/pnas.96.17.9459
10.1073/pnas.96.17.9459 · External reference
Valproic acid interactions with the NavMs voltage-gated sodium channel
2019 · External reference
Principles of protein-protein recognition
10.1038/256705a0 · 1975 · External reference
10.1146/annurev-biophys-052118-115325
10.1146/annurev-biophys-052118-115325 · External reference
10.1002/jcc.20290
10.1002/jcc.20290 · External reference
10.1016/j.csbj.2021.08.053
10.1016/j.csbj.2021.08.053 · External reference