Allosteric Modulation of the Main Protease (MPro) of SARS-CoV-2 by Casticin—Insights from Molecular Dynamics Simulations
Jehoshaphat Oppong Mensah, Gilbert Boadu Ampomah, Edward Ntim Gasu, Abigail Kusiwaa Adomako, Elliott Sarpong Menkah, Lawrence Sheringham Borquaye
Topics & Concepts
Allosteric regulationProteaseChemistryActive siteIn silicoBinding sitePeptideBiochemistryEnzymeGeneComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchResearch on Leishmaniasis Studies