Identification of simple reaction coordinates from complex dynamics

Journal of Chemical Physics

Volumn 146, Issue 4, 2017, Pages

  McGibbon, Robert T ^a   Husic, Brooke E ^a   Pande, Vijay S ^a  

^a STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EIGENVALUES AND EIGENFUNCTIONS;

BIOMOLECULAR SYSTEM; COMPLEX CHEMICALS; INTEGRAL OPERATORS; PROTEIN CONFORMATIONAL CHANGES; REACTION COORDINATES; ROTATIONAL DYNAMICS; STATISTICAL NOISE; STRUCTURAL ORDER PARAMETER;

DYNAMICS;

BIPHENYL DERIVATIVE; MOLECULAR LIBRARY; PROTEINASE INHIBITOR; TRYPSIN;

ANIMAL; BOVINE; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; MOLECULAR LIBRARY;

ANIMALS; BIPHENYL COMPOUNDS; CATTLE; MOLECULAR DYNAMICS SIMULATION; PROTEASE INHIBITORS; SMALL MOLECULE LIBRARIES; TRYPSIN;

EID: 85010735019     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4974306     Document Type: Article

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