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Molecular dynamics analysis to evaluate docking pose prediction

The accurate prediction of a ligand–protein complex structure is important for computer-assisted drug development. Although many docking methods have been developed over the last three decades, the success of binding structure prediction remains greatly limited. The purpose of this study was to demo...

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Detalles Bibliográficos
Autores principales: Sakano, Takako, Mahamood, Md. Iqbal, Yamashita, Takefumi, Fujitani, Hideaki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Biophysical Society of Japan (BSJ) 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5042163/
https://www.ncbi.nlm.nih.gov/pubmed/27924273
http://dx.doi.org/10.2142/biophysico.13.0_181