Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments

Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the feasibility of this task. Computational intelligenc...

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Detalles Bibliográficos
Autores principales: De Paris, Renata, Quevedo, Christian V., Ruiz, Duncan D., Norberto de Souza, Osmar, Barros, Rodrigo C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2015
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4385651/
https://www.ncbi.nlm.nih.gov/pubmed/25873944
http://dx.doi.org/10.1155/2015/916240

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4385651/
https://www.ncbi.nlm.nih.gov/pubmed/25873944
http://dx.doi.org/10.1155/2015/916240

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