Topological obstructions in the way of data-driven collective variables

Journal of Chemical Physics

Volumn 142, Issue 4, 2015, Pages

  Hashemian, Behrooz ^a   Arroyo, Marino ^a  

^a UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; DEGREES OF FREEDOM (MECHANICS); DIHEDRAL ANGLE;

ALANINE DIPEPTIDES; BENCHMARK SYSTEM; COLLECTIVE VARIABLES; CONFORMATIONAL CHANGE; ENHANCED SAMPLINGS; MOLECULAR TRAJECTORIES; NONLINEAR DIMENSIONALITY REDUCTION; TOPOLOGICAL OBSTRUCTIONS;

TOPOLOGY;

EID: 84923792597     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4906425     Document Type: Article

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