Accelerated Enveloping Distribution Sampling to Probe the Presence of Water Molecules.

Gracia Carmona, Oriol; Gillhofer, Michael; Tomasiak, Lisa; De Ruiter, Anita; Oostenbrink, Chris

Gracia Carmona, Oriol; Gillhofer, Michael; Tomasiak, Lisa; De Ruiter, Anita; Oostenbrink, Chris.

Afiliação

Gracia Carmona O; Institute for Molecular Modeling and Simulation, Department of Material Sciences and Process Engineering, University of Natural Resources and Life Sciences, Vienna, Muthgasse 18, 1190 Vienna, Austria.
Gillhofer M; Institute for Molecular Modeling and Simulation, Department of Material Sciences and Process Engineering, University of Natural Resources and Life Sciences, Vienna, Muthgasse 18, 1190 Vienna, Austria.
Tomasiak L; Institute for Molecular Modeling and Simulation, Department of Material Sciences and Process Engineering, University of Natural Resources and Life Sciences, Vienna, Muthgasse 18, 1190 Vienna, Austria.
De Ruiter A; Institute for Molecular Modeling and Simulation, Department of Material Sciences and Process Engineering, University of Natural Resources and Life Sciences, Vienna, Muthgasse 18, 1190 Vienna, Austria.
Oostenbrink C; Institute for Molecular Modeling and Simulation, Department of Material Sciences and Process Engineering, University of Natural Resources and Life Sciences, Vienna, Muthgasse 18, 1190 Vienna, Austria.

J Chem Theory Comput ; 19(11): 3379-3390, 2023 Jun 13.

Article em En | MEDLINE | ID: mdl-37167545

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Áustria

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