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py-MCMD: Python Software for Performing Hybrid Monte Carlo/Molecular Dynamics Simulations with GOMC and NAMD.
Barhaghi, Mohammad Soroush; Crawford, Brad; Schwing, Gregory; Hardy, David J; Stone, John E; Schwiebert, Loren; Potoff, Jeffrey; Tajkhorshid, Emad.
Afiliación
  • Barhaghi MS; Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States.
  • Crawford B; Department of Chemical Engineering and Materials Science, Wayne State University, Detroit, Michigan 48202, United States.
  • Schwing G; Department of Computer Science, Wayne State University, Detroit, Michigan 48202, United States.
  • Hardy DJ; Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States.
  • Stone JE; Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States.
  • Schwiebert L; Department of Computer Science, Wayne State University, Detroit, Michigan 48202, United States.
  • Potoff J; Department of Chemical Engineering and Materials Science, Wayne State University, Detroit, Michigan 48202, United States.
  • Tajkhorshid E; Theoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, United States.
J Chem Theory Comput ; 18(8): 4983-4994, 2022 Aug 09.
Article en En | MEDLINE | ID: mdl-35621307
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Programas Informáticos / Simulación de Dinámica Molecular Tipo de estudio: Health_economic_evaluation Límite: Animals Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Programas Informáticos / Simulación de Dinámica Molecular Tipo de estudio: Health_economic_evaluation Límite: Animals Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos