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Ligand Shaping in Induced Fit Docking of MraY Inhibitors. Polynomial Discriminant and Laplacian Operator as Biological Activity Descriptors

Docking—i.e., interaction of a small molecule (ligand) with a proteic structure (receptor)—represents the ground of drug action mechanism of the vast majority of bioactive chemicals. Ligand and receptor accommodate their geometry and energy, within this interaction, in the benefit of receptor–ligand...

詳細記述

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書誌詳細
出版年:Int J Mol Sci
主要な著者: Lungu, Claudiu N., Diudea, Mircea V., Putz, Mihai V.
フォーマット: Artigo
言語:Inglês
出版事項: MDPI 2017
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC5535870/
https://ncbi.nlm.nih.gov/pubmed/28653980
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms18071377
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