GPU-based detection of protein cavities using Gaussian surfaces

BACKGROUND: Protein cavities play a key role in biomolecular recognition and function, particularly in protein-ligand interactions, as usual in drug discovery and design. Grid-based cavity detection methods aim at finding cavities as aggregates of grid nodes outside the molecule, under the condition...

Descripción completa

Detalles Bibliográficos
Autores principales: Dias, Sérgio E. D., Martins, Ana Mafalda, Nguyen, Quoc T., Gomes, Abel J. P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2017
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5691400/
https://www.ncbi.nlm.nih.gov/pubmed/29145826
http://dx.doi.org/10.1186/s12859-017-1913-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5691400/
https://www.ncbi.nlm.nih.gov/pubmed/29145826
http://dx.doi.org/10.1186/s12859-017-1913-4

Ejemplares similares