Physics Colloquium: “MD Simulations, Free-Energy Calculations, and Machine Learning Applied to SARS-CoV-2 Proteins”
James (JC) Gumbart Georgia Institute of Technology, School of Physics Abstract: The SARS-CoV-2 virus is a strain of coronaviruses, named for the characteristic trimeric spike (S) glycoproteins that protrude from the viral membrane surface. The S proteins are type I fusion proteins, which upon recognition of ACE2, their host cell receptor, undergo substantial conformational change leading to membrane fusion and viral entry. […]