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How Diverse Are the Protein-Bound Conformations of Small-Molecule Drugs and Cofactors?

Knowledge of the bioactive conformations of small molecules or the ability to predict them with theoretical methods is of key importance to the design of bioactive compounds such as drugs, agrochemicals, and cosmetics. Using an elaborate cheminformatics pipeline, which also evaluates the support of...

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Bibliografski detalji
Izdano u:Front Chem
Glavni autori: Friedrich, Nils-Ole, Simsir, Méliné, Kirchmair, Johannes
Format: Artigo
Jezik:Inglês
Izdano: Frontiers Media S.A. 2018
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5880911/
https://ncbi.nlm.nih.gov/pubmed/29637066
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2018.00068
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