Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects.

Krämer, Andreas; Pickard, Frank C; Huang, Jing; Venable, Richard M; Simmonett, Andrew C; Reith, Dirk; Kirschner, Karl N; Pastor, Richard W; Brooks, Bernard R

Krämer, Andreas; Pickard, Frank C; Huang, Jing; Venable, Richard M; Simmonett, Andrew C; Reith, Dirk; Kirschner, Karl N; Pastor, Richard W; Brooks, Bernard R.

Afiliação

Krämer A; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States.
Pickard FC; Institute of Technology, Resource and Energy-Efficient Engineering , Bonn-Rhein-Sieg University of Applied Sciences , Grantham-Allee 20 , 53757 Sankt Augustin , Germany.
Huang J; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States.
Venable RM; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States.
Simmonett AC; School of Life Sciences , Westlake University , 18 Shilongshan Road , Hangzhou 310024 , Zhejiang China.
Reith D; Department of Pharmaceutical Science, School of Pharmacy , University of Maryland , 20 Penn Street , Baltimore , Maryland 21201 , United States.
Kirschner KN; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States.
Pastor RW; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States.
Brooks BR; Institute of Technology, Resource and Energy-Efficient Engineering , Bonn-Rhein-Sieg University of Applied Sciences , Grantham-Allee 20 , 53757 Sankt Augustin , Germany.

J Chem Theory Comput ; 15(6): 3854-3867, 2019 Jun 11.

Article em En | MEDLINE | ID: mdl-31002505

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos

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