Unrestrained computation of free energy along a path

Journal of Physical Chemistry B

Volumn 116, Issue 36, 2012, Pages 11046-11055

  Dickson, Bradley M ^a,b   Huang, He ^a   Post, Carol Beth ^a  

^a PURDUE UNIVERSITY   (United States)

^b UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CURVE FITTING; OPTIMIZATION; TWO DIMENSIONAL;

ADAPTIVE BIASING; ARBITRARY DIMENSION; ARC LENGTH; COLLECTIVE VARIABLES; CONFORMATIONAL TRANSITIONS; ENERGY PROFILE; FREE-ENERGY LANDSCAPE; LINE-SEARCH METHODS; ONE-DIMENSIONAL POTENTIAL; PATH OPTIMIZATIONS; POTENTIAL OF MEAN FORCE; POTENTIAL SURFACES; PRINCIPAL CURVE; PROTEIN TYROSINE KINASE; REACTION CHANNELS;

FREE ENERGY;

EID: 84866363543     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp304720m     Document Type: Article

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