Boxed molecular dynamics: A simple and general technique for accelerating rare event kinetics and mapping free energy in large molecular systems

Journal of Physical Chemistry B

Volumn 113, Issue 52, 2009, Pages 16603-16611

  Glowacki, David R ^a,b   Paci, Emanuele ^a   Shalashilin, Dmitrii V ^b  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

^b UNIVERSITY OF LEEDS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; MOLECULAR DYNAMICS;

COMPLEMENTARY METHODS; DETAILED BALANCE; EXACT METHODS; KINETIC INFORMATION; KINETIC RATES; MODEL PEPTIDES; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SYSTEMS; RARE EVENT; RATE COEFFICIENTS; REACTION COORDINATES;

REACTION KINETICS;

EID: 73349135352     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9074898     Document Type: Article

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