Epock: rapid analysis of protein pocket dynamics

Summary: The volume of an internal protein pocket is fundamental to ligand accessibility. Few programs that compute such volumes manage dynamic data from molecular dynamics (MD) simulations. Limited performance often prohibits analysis of large datasets. We present Epock, an efficient command-line t...

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Detalles Bibliográficos
Autores principales: Laurent, Benoist, Chavent, Matthieu, Cragnolini, Tristan, Dahl, Anna Caroline E., Pasquali, Samuela, Derreumaux, Philippe, Sansom, Mark S.P., Baaden, Marc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2015
Materias:
Applications Notes
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4410650/
https://www.ncbi.nlm.nih.gov/pubmed/25505095
http://dx.doi.org/10.1093/bioinformatics/btu822

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4410650/
https://www.ncbi.nlm.nih.gov/pubmed/25505095
http://dx.doi.org/10.1093/bioinformatics/btu822

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