Coarse-Grained Models for Constant pH Simulations of Carboxylic Acids.

Islam, Naeyma N; Sharma, Arjun; Gyawali, Gaurav; Kumar, Revati; Rick, Steven W

Islam, Naeyma N; Sharma, Arjun; Gyawali, Gaurav; Kumar, Revati; Rick, Steven W.

Afiliação

Islam NN; Department of Chemistry , University of New Orleans , New Orleans , Louisiana 70148 , United States.
Sharma A; Department of Chemistry , University of New Orleans , New Orleans , Louisiana 70148 , United States.
Gyawali G; Department of Chemistry , University of New Orleans , New Orleans , Louisiana 70148 , United States.
Kumar R; Department of Chemistry , Louisiana State University , Baton Rouge , Louisiana 70808 , United States.
Rick SW; Department of Chemistry , University of New Orleans , New Orleans , Louisiana 70148 , United States.

J Chem Theory Comput ; 15(8): 4623-4631, 2019 Aug 13.

Article em En | MEDLINE | ID: mdl-31265273

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2019 Tipo de documento: Article