Ligand-protein docking studies of potential HIV-1 drug compounds using the algorithm FlexX

George Patargias, Gary Ewart, Carolyn Luscombe, Wolfgang B. Fischer

研究成果: Article同行評審

6 引文 斯高帕斯(Scopus)

摘要

Four compounds are docked to a pentameric bundle representing the transmembrane part of the Vpu protein from HIV-1. Employing the docking algorithm FlexX, their free energy of binding is estimated leading to the conclusion that potential drug candidates need to form H-bonds either with neighbouring or with n + 2 helices at the site of the serines within the bundle.

原文English
頁(從 - 到)2559-2563
頁數5
期刊Analytical and Bioanalytical Chemistry
396
發行號7
DOIs
出版狀態Published - 4月 2010

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