Molecular dynamics reveals complex compensatory effects of ionic strength on the SARS-CoV-2 Spike/hACE-2 interaction
Anacleto Silva de Souza, José D. Rivera, Vitor M. Almeida, Pingju Ge, Robson Francisco de Souza, Chuck S. Farah, Henning Ulrich, Sandro R. Marana, Roberto Köpke Salinas, Cristiane Rodrigues Guzzo
The paper uses molecular dynamics simulations to study how changes in ionic strength affect the stability of the SARS-CoV-2 Spike/hACE-2 interaction, identifying compensatory effects between two regions of the receptor-binding domain.
The Journal of Physical Chemistry Letters · Dec 3, 2020Peer-reviewedBioinformatics