Molecular dynamics analysis of fast-spreading severe acute respiratory syndrome coronavirus 2 variants and their effects in the interaction with human angiotensin-converting enzyme 2
Anacleto Silva de Souza, Vitor Martins de Freitas Amorim, Gabriela D. A. Guardia, Felipe R. C. dos Santos, Filipe Ferreira dos Santos, Robson Francisco de Souza, Guilherme de Araujo Juvenal, Yihua Huang, Pingju Ge, Yinan Jiang, Coco Li, Prajwal Paudel, Henning Ulrich, Pedro A. F. Galante, Cristiane Rodrigues Guzzo
The paper uses molecular dynamics simulations and SPR assays to analyze how SARS-CoV-2 variants bind to the ACE2 receptor and how this affects viral spread.
ACS Omega · Aug 25, 2022Peer-reviewedMolecular Biology