The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) an enveloped, positive-sense single-stranded RNA virus that is responsible for the COVID-19 pandemic…
SARS-CoV-2 is the coronavirus that is responsible for the COVID-19 pandemic. Each virion has ~ 25 spike glycoproteins extended from the surface; these are responsible for entry of a coronavirus into the host cell and are the primary target of immune response…
The spike (S) glycoprotein of SARS-COV-2, the pathogen of the COVID-19 pandemic, is a key target for drug development due to its vital role of the spike in enabling a coronavirus to enter the host cell…
The implicit water model is one of the two major categories of water models used in molecular mechanics modeling, including molecular dynamics (MD) simulation and estimation of solvation free energies…
The implicit water models like generalized Born (GB) models are generally used in molecular dynamics simulations, due to their good balance between accuracy and performance…