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MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations.
Gecht, Michael; Siggel, Marc; Linke, Max; Hummer, Gerhard; Köfinger, Jürgen.
Affiliation
  • Gecht M; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany.
  • Siggel M; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany.
  • Linke M; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany.
  • Hummer G; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany.
  • Köfinger J; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany.
J Chem Phys ; 153(14): 144105, 2020 Oct 14.
Article in En | MEDLINE | ID: mdl-33086826
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Document type: Article Affiliation country: Country of publication:
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Document type: Article Affiliation country: Country of publication: