Renormalizing SMD: The renormalization approach and its use in long time simulations and accelerated PMF calculations of macromolecules

Journal of Physical Chemistry B

Volumn 114, Issue 39, 2010, Pages 12720-12728

  Dryga, Anatoly ^a   Warshel, Arieh ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULES; DYNAMICS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS;

BRUTE FORCE; CONDENSED PHASIS; EFFECTIVE POTENTIALS; EXPLICIT MODELS; EXTERNAL FORCE; GASPHASE; IMPLICIT MODEL; ION CHANNEL; LANGEVIN DYNAMICS; LARGE SYSTEM; LONG TIME BEHAVIOR; LONG-TIME DYNAMICS; MOLECULAR SIMULATIONS; PASSAGE TIME; POTENTIAL OF MEAN FORCE; RENORMALIZATION; RENORMALIZATION METHODS; STEERED MOLECULAR DYNAMICS; TIME SIMULATIONS; TIME-SCALES;

COMPUTER SIMULATION;

GRAMICIDIN;

ARTICLE; CHEMISTRY; GAS; MOLECULAR DYNAMICS;

GASES; GRAMICIDIN; MOLECULAR DYNAMICS SIMULATION;

EID: 79951503523     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1056122     Document Type: Article

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