Molecular Dynamics Analysis of Fast-Spreading Severe Acute Respiratory Syndrome Coronavirus 2 Variants and Their Effects on the Interaction with Human Angiotensin-Converting Enzyme 2
| Autor: | Anacleto Silva de Souza, Vitor Martins de Freitas Amorim, Gabriela D. A. Guardia, Felipe R. C. dos Santos, Filipe F. 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 |
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| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual) Universidade de São Paulo (USP) instacron:USP |
| ISSN: | 2470-1343 |
| DOI: | 10.1021/acsomega.1c07240 |
| Popis: | Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is evolving with mutations in the spike protein, especially in the receptor-binding domain (RBD). The failure of public health measures in some countries to contain the spread of the disease has given rise to novel viral variants with increased transmissibility. However, key questions about how quickly the variants can spread remain unclear. Herein, we performed a structural investigation using molecular dynamics simulations and determined dissociation constant ( |
| Databáze: | OpenAIRE |
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