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
العنوان: | 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 |
---|---|
المؤلفون: | 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 |
المصدر: | Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual) Universidade de São Paulo (USP) instacron:USP |
بيانات النشر: | American Chemical Society (ACS), 2022. |
سنة النشر: | 2022 |
مصطلحات موضوعية: | General Chemical Engineering, MUTAÇÃO GENÉTICA, General Chemistry |
الوصف: | 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 ( |
تدمد: | 2470-1343 |
URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1fda50c166a72fa5a399212bb620a973 https://doi.org/10.1021/acsomega.1c07240 |
حقوق: | OPEN |
رقم الأكسشن: | edsair.doi.dedup.....1fda50c166a72fa5a399212bb620a973 |
قاعدة البيانات: | OpenAIRE |
تدمد: | 24701343 |
---|