How well do the substrates KISS the enzyme? Molecular docking program selection for feruloyl esterases

Molecular docking is the most commonly used technique in the modern drug discovery process where computational approaches involving docking algorithms are used to dock small molecules into macromolecular target structures. Over the recent years several evaluation studies have been reported by indepe...

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Main Authors: Udatha, D. B. R. K. Gupta, Sugaya, Nobuyoshi, Olsson, Lisbeth, Panagiotou, Gianni
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group 2012
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Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3308130/
https://ncbi.nlm.nih.gov/pubmed/22435086
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep00323
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