Contrasting dynamic and mechanistic signatures of Class 3 and Class 4 neutralizing antibodies targeting SARS-CoV-2 spike protein: dissecting molecular determinants of neutralization mechanisms using a multi-pronged computational approach.
An integrated computational framework combining structural analysis, conformational dynamics, mutational scanning, binding energetics, and allosteric network modeling to systematically dissect Class 3 and Class 4 antibodies provides a generalizable paradigm for understanding antibody neutralization mechanisms, predicti...