Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer.

Mondal, Padmabati; Cazade, Pierre-André; Das, Akshaya K; Bereau, Tristan; Meuwly, Markus

Mondal, Padmabati; Cazade, Pierre-André; Das, Akshaya K; Bereau, Tristan; Meuwly, Markus.

Afiliação

Mondal P; Department of Chemistry, University of Basel, Klingelbergstrasse 80, Basel 4056, Switzerland.
Cazade PA; Department of Chemistry, University of Basel, Klingelbergstrasse 80, Basel 4056, Switzerland.
Das AK; Department of Chemistry, University of Basel, Klingelbergstrasse 80, Basel 4056, Switzerland.
Bereau T; Department of Chemistry, University of Basel, Klingelbergstrasse 80, Basel 4056, Switzerland.
Meuwly M; Department of Chemistry, University of Basel, Klingelbergstrasse 80, Basel 4056, Switzerland.

J Phys Chem B ; 125(39): 10928-10938, 2021 10 07.

Article em En | MEDLINE | ID: mdl-34559531

Assuntos

Alanina; Amidas; Teorema de Bayes; Conformação Molecular; Simulação de Dinâmica Molecular; Análise Espectral

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Alanina / Amidas Tipo de estudo: Prognostic_studies Idioma: En Revista: J Phys Chem B Ano de publicação: 2021 Tipo de documento: Article

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