… of the hydrated SARS-CoV-2 main protease by means of 2.0 μs molecular dynamics (MD) …
complement previous crystallographic studies on the SARS-CoV-2 enzyme and, together …

… on analyzing the molecular structure and … SARS-CoV-2 protein from the aspect of molecular
dynamics simulation. Pioneer English publications that have used molecular dynamics …

… The differences between SARS-CoV and SARS-CoV-2 were … behind SARS-CoV-2's
high infectivity and the molecular … SARS-CoV-2 and its variants from the original SARS-CoV, …

… inhibitors against the SARS coronavirus (SARS-CoV) is provided. Molecular dynamic
simulations were performed in order to investigate the structure and dynamics behaviours of the …

D614G is one of the most reported mutations in the spike protein of SARS-COV-2 that has
altered some crucial characteristics of coronaviruses, such as rate of infection and binding …

… the RBD of the SARS-CoV-2 with that of SARS-CoV-1, which … in binding with ACE2 for
SARS-CoV-2 and SARS-CoV-1 [16]. … , for computational analysis using molecular dynamics (MD) …

The novel coronavirus, SARS-CoV-2, has caused a recent pandemic called COVID-19 and a
severe health threat around the world. In the current situation, the virus is rapidly spreading …

… molecular dynamics (MD) simulations we explore the dynamics of the Spike glycoprotein
of SARS-COV… This is the first molecular study on the environmental influence on the protein …

Full article: Targeting the 3CLpro and RdRp of SARS-CoV-2 with phytochemicals from
medicinal plants of the Andean Region: molecular docking and molecular dynamics simulations …

… , VAL157, and PRO184 have mutated more than once in SARS CoV-2; (2) the D48E variant
has lead … of SARS-CoV-2 M pro and investigate different aspects of their dynamics using MD. …