GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

Computational modeling of drug binding to proteins is an integral component of direct drug design. Particularly, structure-based virtual screening is often used to perform large-scale modeling of putative associations between small organic molecules and their pharmacologically relevant protein targe...

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Detalles Bibliográficos
Autores principales: Fang, Ye, Ding, Yun, Feinstein, Wei P., Koppelman, David M., Moreno, Juana, Jarrell, Mark, Ramanujam, J., Brylinski, Michal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2016
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4946785/
https://www.ncbi.nlm.nih.gov/pubmed/27420300
http://dx.doi.org/10.1371/journal.pone.0158898

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4946785/
https://www.ncbi.nlm.nih.gov/pubmed/27420300
http://dx.doi.org/10.1371/journal.pone.0158898

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