Side chain similarity comparisons for integrated drug repositioning and potential toxicity assessments in epidemic response scenarios: The case for COVID-19

Structures of protein-drug-complexes provide an atomic level profile of drug-target interactions. In this work, the three-dimensional arrangements of amino acid side chains in known drug binding sites (substructures) were used to search for similarly arranged sites in SARS-CoV-2 protein structures i...

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Detalhes bibliográficos
Publicado no:Comput Struct Biotechnol J
Main Authors: Ab Ghani, Nur Syatila, Emrizal, Reeki, Makmur, Haslina, Firdaus-Raih, Mohd
Formato: Artigo
Idioma:Inglês
Publicado em: Research Network of Computational and Structural Biotechnology 2020
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7575501/
https://ncbi.nlm.nih.gov/pubmed/33101604
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.csbj.2020.10.013
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