Structure-based drug design of an inhibitor of the SARS-CoV-2 (COVID-19) main protease using free software: A tutorial for students and scientists

This paper describes the structure-based design of a preliminary drug candidate against COVID-19 using free software and publicly available X-ray crystallographic structures. The goal of this tutorial is to disseminate skills in structure-based drug design and to allow others to unleash their own cr...

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Bibliographic Details
Published in:Eur J Med Chem
Main Authors: Zhang, Sheng, Krumberger, Maj, Morris, Michael A., Parrocha, Chelsea Marie T., Kreutzer, Adam G., Nowick, James S.
Format: Artigo
Language:Inglês
Published: Elsevier Masson SAS. 2021
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Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7980496/
https://ncbi.nlm.nih.gov/pubmed/33812315
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.ejmech.2021.113390
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