NRGsuite: a PyMOL plugin to perform docking simulations in real time using FlexAID

Ligand protein docking simulations play a fundamental role in understanding molecular recognition. Herein we introduce the NRGsuite, a PyMOL plugin that permits the detection of surface cavities in proteins, their refinements, calculation of volume and use, individually or jointly, as target binding...

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Detalles Bibliográficos
Autores principales: Gaudreault, Francis, Morency, Louis-Philippe, Najmanovich, Rafael J.
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/PMC4653388/
https://www.ncbi.nlm.nih.gov/pubmed/26249810
http://dx.doi.org/10.1093/bioinformatics/btv458

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4653388/
https://www.ncbi.nlm.nih.gov/pubmed/26249810
http://dx.doi.org/10.1093/bioinformatics/btv458

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