Real Cost of Speed: The Effect of a Time-Saving Multiple-Time-Stepping Algorithm on the Accuracy of Molecular Dynamics Simulations.

Reißer, Sabine; Poger, David; Stroet, Martin; Mark, Alan E

Reißer, Sabine; Poger, David; Stroet, Martin; Mark, Alan E.

Afiliación

Reißer S; Institute of Biological Interfaces (IBG-2) and Department of Theoretical Chemical Biology, Institute of Physical Chemistry, Karlsruhe Institute of Technology , 76131 Karlsruhe, Germany.
Poger D; School of Chemistry and Molecular Biosciences and §Institute for Molecular Bioscience, The University of Queensland , Brisbane, Queensland 4072, Australia.
Stroet M; Institute of Biological Interfaces (IBG-2) and Department of Theoretical Chemical Biology, Institute of Physical Chemistry, Karlsruhe Institute of Technology , 76131 Karlsruhe, Germany.
Mark AE; School of Chemistry and Molecular Biosciences and §Institute for Molecular Bioscience, The University of Queensland , Brisbane, Queensland 4072, Australia.

J Chem Theory Comput ; 13(6): 2367-2372, 2017 Jun 13.

Article en En | MEDLINE | ID: mdl-28437607

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Health_economic_evaluation / Prognostic_studies Idioma: En Revista: J Chem Theory Comput Año: 2017 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Estados Unidos

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