A variational conformational dynamics approach to the selection of collective variables in metadynamics

Journal of Chemical Physics

Volumn 147, Issue 20, 2017, Pages

  McCarty, James ^a,b   Parrinello, Michele ^a,b  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF LUGANO   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; INDEPENDENT COMPONENT ANALYSIS;

COLLECTIVE VARIABLES; COMPUTATIONAL TECHNIQUE; CONFORMATIONAL DYNAMICS; ENHANCED SAMPLINGS; FREE ENERGY LANDSCAPE; METADYNAMICS; SLOW CONVERGENCES;

DYNAMICS;

ARTICLE; CONFORMATIONAL TRANSITION; INDEPENDENT COMPONENT ANALYSIS; PHYSICS;

EID: 85036670087     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4998598     Document Type: Article

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