Inherent structure versus geometric metric for state space discretization.

Liu, Hanzhong; Li, Minghai; Fan, Jue; Huo, Shuanghong

Liu, Hanzhong; Li, Minghai; Fan, Jue; Huo, Shuanghong.

Liu H; Gustaf H. Carlson School of Chemistry and Biochemistry, Clark University, 950 Main Street, Worcester, Massachusetts, 01610.
Li M; Gustaf H. Carlson School of Chemistry and Biochemistry, Clark University, 950 Main Street, Worcester, Massachusetts, 01610.
Fan J; Gustaf H. Carlson School of Chemistry and Biochemistry, Clark University, 950 Main Street, Worcester, Massachusetts, 01610.
Huo S; Gustaf H. Carlson School of Chemistry and Biochemistry, Clark University, 950 Main Street, Worcester, Massachusetts, 01610.

J Comput Chem ; 37(14): 1251-8, 2016 May 30.

Article en En | MEDLINE | ID: mdl-26915811

Asunto(s)

Estructura Molecular; Análisis por Conglomerados

Palabras clave

Markov state model; clustering method; effective energy surface; inherent structure; mean first passage time

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Estructura Molecular Idioma: En Año: 2016 Tipo del documento: Article

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Estructura Molecular Idioma: En Año: 2016 Tipo del documento: Article