A computational method to simulate global conformational changes of proteins induced by cosolvent.

Tanimoto, Shoichi; Tamura, Koichi; Hayashi, Shigehiko; Yoshida, Norio; Nakano, Haruyuki

Tanimoto, Shoichi; Tamura, Koichi; Hayashi, Shigehiko; Yoshida, Norio; Nakano, Haruyuki.

Afiliación

Tanimoto S; Department of Chemistry, Graduate School of Science, Kyushu University, Fukuoka, Japan.
Tamura K; Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto, Japan.
Hayashi S; Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto, Japan.
Yoshida N; Department of Chemistry, Graduate School of Science, Kyushu University, Fukuoka, Japan.
Nakano H; Department of Chemistry, Graduate School of Science, Kyushu University, Fukuoka, Japan.

J Comput Chem ; 42(8): 552-563, 2021 03 30.

Article en En | MEDLINE | ID: mdl-33433010

Asunto(s)

Proteínas/química; Solventes/química; Simulación de Dinámica Molecular; Conformación Proteica; Desnaturalización Proteica; Ubiquitina/química; Urea/química

Palabras clave

3D-RISM; LRPF; MD simulation; denaturation; linear response theory

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Solventes / Proteínas Tipo de estudio: Prognostic_studies Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2021 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Estados Unidos

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