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Deep learning-based molecular dynamics simulation for structure-based drug design against SARS-CoV-2

Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus type 2 (SARS-CoV-2), has led to a global pandemic. Deep learning (DL) technology and molecular dynamics (MD) simulation are two mainstream computational approaches to investigate the geometric, chemical and...

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Detalles Bibliográficos
Autores principales: Sun, Yao, Jiao, Yanqi, Shi, Chengcheng, Zhang, Yang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9448712/
https://www.ncbi.nlm.nih.gov/pubmed/36091720
http://dx.doi.org/10.1016/j.csbj.2022.09.002