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Machine Learning-Guided Approach for Studying Solvation Environments.
Basdogan, Yasemin; Groenenboom, Mitchell C; Henderson, Ethan; De, Sandip; Rempe, Susan B; Keith, John A.
Afiliación
  • Basdogan Y; Department of Chemical and Petroleum Engineering Swanson School of Engineering , University of Pittsburgh , Pittsburgh 15261 , Pennsylvania , United States.
  • Groenenboom MC; Department of Chemical and Petroleum Engineering Swanson School of Engineering , University of Pittsburgh , Pittsburgh 15261 , Pennsylvania , United States.
  • Henderson E; Department of Chemical and Petroleum Engineering Swanson School of Engineering , University of Pittsburgh , Pittsburgh 15261 , Pennsylvania , United States.
  • De S; Laboratory of Computational Science and Modelling, Institute of Materials , École Polytechnique Fédérale de Lausanne , Lausanne 1015 , Switzerland.
  • Rempe SB; Department of Nanobiology , Sandia National Laboratories , Albuquerque 87185 , New Mexico , United States.
  • Keith JA; Department of Chemical and Petroleum Engineering Swanson School of Engineering , University of Pittsburgh , Pittsburgh 15261 , Pennsylvania , United States.
J Chem Theory Comput ; 16(1): 633-642, 2020 Jan 14.
Article en En | MEDLINE | ID: mdl-31809056

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos