Screening of world approved drugs against highly dynamical spike glycoprotein of SARS-CoV-2 using CaverDock and machine learning

The new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes pathological pulmonary symptoms. Most efforts to develop vaccines and drugs against this virus target the spike glycoprotein, particularly its S1 subunit, which is recognised by angiotensin-converting enzyme 2. Here we use t...

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Bibliographic Details
Published in:Comput Struct Biotechnol J
Main Authors: Pinto, Gaspar P., Vavra, Ondrej, Marques, Sergio M., Filipovic, Jiri, Bednar, David, Damborsky, Jiri
Format: Artigo
Language:Inglês
Published: Research Network of Computational and Structural Biotechnology 2021
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Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC8174816/
https://ncbi.nlm.nih.gov/pubmed/34104357
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.csbj.2021.05.043
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