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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...
Autores principales: | Sun, Yao, Jiao, Yanqi, Shi, Chengcheng, Zhang, Yang |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Research Network of Computational and Structural Biotechnology
2022
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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 |
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