Protex-A Python utility for proton exchange in molecular dynamics simulations.

Joerg, Florian; Wieder, Marcus; Schröder, Christian

Joerg, Florian; Wieder, Marcus; Schröder, Christian.

Afiliación

Joerg F; Department of Computational Biological Chemistry, Faculty of Chemistry, University of Vienna, Vienna, Austria.
Wieder M; Vienna Doctoral School in Chemistry (DoSChem), University of Vienna, Vienna, Austria.
Schröder C; Department of Pharmaceutical Sciences, Faculty of Life Sciences, University of Vienna, Vienna, Austria.

Front Chem ; 11: 1140896, 2023.

Article en En | MEDLINE | ID: mdl-36874061

Palabras clave

conductivity; dynamic properties; ionic liquids; molecular dynamics; proton exchange

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Front Chem Año: 2023 Tipo del documento: Article País de afiliación: Austria Pais de publicación: Suiza

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