Graph representation of protein free energy landscape

Journal of Chemical Physics

Volumn 139, Issue 18, 2013, Pages

  Li, Minghai ^a   Duan, Mojie ^a   Fan, Jue ^a,b   Han, Li ^a   Huo, Shuanghong ^a  

^a CLARK UNIVERSITY   (United States)

^b GEOPHYSICAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISCONNECTIVITY GRAPHS; FREE ENERGY LANDSCAPE; GRAPH REPRESENTATION; LOW-DIMENSIONAL SPACES; MOLECULAR DYNAMICS TRAJECTORIES; MULTIDIMENSIONAL NATURE; PROTEIN CONFORMATIONAL CHANGES; THERMODYNAMICS AND KINETICS;

ENERGY BARRIERS; FREE ENERGY; MOLECULAR DYNAMICS; PROTEINS;

TREES (MATHEMATICS);

PROTEIN;

ARTICLE; CHEMISTRY; KINETICS; MOLECULAR DYNAMICS; THERMODYNAMICS;

KINETICS; MOLECULAR DYNAMICS SIMULATION; PROTEINS; THERMODYNAMICS;

EID: 84903362793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4829768     Document Type: Article

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40. See supplementary material at http://dx.doi.org/10.1063/1.4829768 E-JCPSA6-139-049343 for the derivation of Eq. and Fig. S1: Distribution of RMSD between every pair of adjacent conformations along the 1-μs trajectory.