Machine learning implicit solvation for molecular dynamics.

Chen, Yaoyi; Krämer, Andreas; Charron, Nicholas E; Husic, Brooke E; Clementi, Cecilia; Noé, Frank

Chen, Yaoyi; Krämer, Andreas; Charron, Nicholas E; Husic, Brooke E; Clementi, Cecilia; Noé, Frank.

Afiliación

Chen Y; Department of Mathematics and Computer Science, Freie Universität, Berlin, Germany.
Krämer A; Department of Mathematics and Computer Science, Freie Universität, Berlin, Germany.
Charron NE; Department of Physics, Rice University, Houston, Texas 77005, USA.
Husic BE; Department of Mathematics and Computer Science, Freie Universität, Berlin, Germany.
Clementi C; Department of Physics, Rice University, Houston, Texas 77005, USA.
Noé F; Department of Mathematics and Computer Science, Freie Universität, Berlin, Germany.

J Chem Phys ; 155(8): 084101, 2021 Aug 28.

Article en En | MEDLINE | ID: mdl-34470360

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2021 Tipo del documento: Article País de afiliación: Alemania

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