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Coarse-Graining of Imaginary Time Feynman Path Integrals: Inclusion of Intramolecular Interactions and Bottom-up Force-Matching.
Ryu, Won Hee; Voth, Gregory A.
Afiliação
  • Ryu WH; Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
  • Voth GA; Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
J Phys Chem A ; 126(35): 6004-6019, 2022 Sep 08.
Article em En | MEDLINE | ID: mdl-36007243
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
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PubMed Links
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2022 Tipo de documento: Article