The emergence of the Omicron variant has reinforced the importance of continued SARS-
CoV-2 evolution and its possible impact on vaccine effectiveness. Specifically, mutations in …

Abstract The Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) spike
protein is of interest for the development of vaccines and therapeutics against COVID-19 …

Abstract Severe Acute Respiratory Syndrome Coronavirus 2 (SARS‐CoV‐2) enters the host
cell by binding to angiotensin‐converting enzyme 2 (ACE2). While evolutionarily conserved …

In early 2020, the emergence and spread of severe acute respiratory syndrome coronavirus
2 (SARS-CoV-2) in the human population quickly developed into a global pandemic. SARS …

During the COVID-19 pandemic, immunosuppressed patients showed prolonged SARS-
CoV-2 infections, with several studies reporting the accumulation of mutations in the viral …

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a new member of the
Coronaviridae family, triggering more than 190 million cases and more than two million …

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has a role in the mortality
of more than 6 million people worldwide. This virus owns the genome, which contains four …

During the COVID-19 pandemic, immunosuppressed patients showed prolonged SARS-
CoV-2 infections, with several studies reporting the accumulation of mutations in the viral …

In this study, we combined all-atom MD simulations, the ensemble-based mutational
scanning of protein stability and binding, and perturbation-based network profiling of …

Purpose: Molecular dynamics (MD) simulations produce a substantial volume of high-
dimensional data, and traditional methods for analyzing these data pose significant …