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Virtual Screening for HIV Protease Inhibitors: A Comparison of AutoDock 4 and Vina

BACKGROUND: The AutoDock family of software has been widely used in protein-ligand docking research. This study compares AutoDock 4 and AutoDock Vina in the context of virtual screening by using these programs to select compounds active against HIV protease. METHODOLOGY/PRINCIPAL FINDINGS: Both prog...

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Hlavní autoři: Chang, Max W., Ayeni, Christian, Breuer, Sebastian, Torbett, Bruce E.
Médium: Artigo
Jazyk:Inglês
Vydáno: Public Library of Science 2010
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2915912/
https://ncbi.nlm.nih.gov/pubmed/20694138
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0011955
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