A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers.

Cooper, Christopher D; Bardhan, Jaydeep P; Barba, L A

Cooper, Christopher D; Bardhan, Jaydeep P; Barba, L A.

Afiliación

Cooper CD; Mechanical Engineering, Boston University, Boston, MA, 02215 U.S.A.
Bardhan JP; Electrical and Computer Engineering, Northeastern University, Boston, MA, 02115 U.S.A.
Barba LA; Mechanical Engineering, Boston University, Boston, MA, 02215 U.S.A.

Comput Phys Commun ; 185(3): 720-729, 2014 Mar.

Article en En | MEDLINE | ID: mdl-25284826

Palabras clave

CUDA; Poisson-Boltzmann; Python; biomolecular electrostatics; boundary element method; implicit solvent; treecode

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Texto completo: 1 Bases de datos: MEDLINE Tipo de estudio: Clinical_trials Idioma: En Revista: Comput Phys Commun Año: 2014 Tipo del documento: Article

Texto completo

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PubMed Links

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Texto completo: 1 Bases de datos: MEDLINE Tipo de estudio: Clinical_trials Idioma: En Revista: Comput Phys Commun Año: 2014 Tipo del documento: Article