Predicting Hydrophobicity by Learning Spatiotemporal Features of Interfacial Water Structure: Combining Molecular Dynamics Simulations with Convolutional Neural Networks.

Kelkar, Atharva S; Dallin, Bradley C; Van Lehn, Reid C

Kelkar, Atharva S; Dallin, Bradley C; Van Lehn, Reid C.

Afiliação

Kelkar AS; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Drive, Madison, Wisconsin 53706, United States.
Dallin BC; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Drive, Madison, Wisconsin 53706, United States.
Van Lehn RC; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Drive, Madison, Wisconsin 53706, United States.

J Phys Chem B ; 124(41): 9103-9114, 2020 10 15.

Article em En | MEDLINE | ID: mdl-32966079

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Phys Chem B Assunto da revista: QUIMICA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos

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