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1.
Unraveling the binding mechanism of the active form of Remdesivir to RdRp of SARS-CoV-2 and designing new potential analogues: Insights from molecular dynamics simulations.
Chem Phys Lett
; 799: 139638, 2022 Jul 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-35475235
2.
Discovery of novel inhibitors of histone deacetylase 6: Structure-based virtual screening, molecular dynamics simulation, enzyme inhibition and cell viability assays.
Life Sci
; 338: 122395, 2024 Feb 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-38181853
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