OpenMSCG: A Software Tool for Bottom-Up Coarse-Graining.

Peng, Yuxing; Pak, Alexander J; Durumeric, Aleksander E P; Sahrmann, Patrick G; Mani, Sriramvignesh; Jin, Jaehyeok; Loose, Timothy D; Beiter, Jeriann; Voth, Gregory A

Peng, Yuxing; Pak, Alexander J; Durumeric, Aleksander E P; Sahrmann, Patrick G; Mani, Sriramvignesh; Jin, Jaehyeok; Loose, Timothy D; Beiter, Jeriann; Voth, Gregory A.

Afiliação

Peng Y; NVIDIA Corporation, 2788 San Tomas Expressway, Santa Clara, California 95051, United States.
Pak AJ; Department of Chemical and Biological Engineering, Colorado School of Mines, Golden, Colorado 80401, United States.
Durumeric AEP; Department of Mathematics and Computer Science, Freie Universität Berlin, Berlin 14195, Germany.
Sahrmann PG; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
Mani S; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
Jin J; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
Loose TD; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
Beiter J; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
Voth GA; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.

J Phys Chem B ; 127(40): 8537-8550, 2023 Oct 12.

Article em En | MEDLINE | ID: mdl-37791670

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem B Assunto da revista: QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos

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