Data for molecular dynamics simulations of <i>Escherichia coli</i> cytochrome <i>bd</i> oxidase with the Amber force field.

Ahn, Surl-Hee; Seitz, Christian; Cruzeiro, Vinícius Wilian D; McCammon, J Andrew; Götz, Andreas W

Data for molecular dynamics simulations of Escherichia coli cytochrome bd oxidase with the Amber force field.

Ahn, Surl-Hee; Seitz, Christian; Cruzeiro, Vinícius Wilian D; McCammon, J Andrew; Götz, Andreas W.

Afiliação

Ahn SH; Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive, La Jolla, CA 92093, United States.
Seitz C; Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive, La Jolla, CA 92093, United States.
Cruzeiro VWD; Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive, La Jolla, CA 92093, United States.
McCammon JA; San Diego Supercomputer Center, University of California San Diego, 9500 Gilman Drive, La Jolla, CA 92093, United States.
Götz AW; Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive, La Jolla, CA 92093, United States.

Data Brief ; 38: 107401, 2021 Oct.

Article em En | MEDLINE | ID: mdl-34621930

Palavras-chave

Amber force field; Cytochrome bd oxidase; Molecular dynamics; Tuberculosis

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: Data Brief Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos

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