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Computational Ways to Enhance Protein Inhibitor Design

Two new computational approaches are described to aid in the design of new peptide-based drugs by evaluating ensembles of protein structures from their dynamics and through the assessing of structures using empirical contact potential. These approaches build on the concept that conformational variab...

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Detalhes bibliográficos
Publicado no:Front Mol Biosci
Main Authors: Jernigan, Robert L., Sankar, Kannan, Jia, Kejue, Faraggi, Eshel, Kloczkowski, Andrzej
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7886686/
https://ncbi.nlm.nih.gov/pubmed/33614705
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fmolb.2020.607323
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