Exploring the free energy landscape of solutes embedded in lipid bilayers

Journal of Physical Chemistry Letters

Volumn 4, Issue 11, 2013, Pages 1781-1787

  Jämbeck, Joakim P M ^a   Lyubartsev, Alexander P ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

enhanced sampling; lipid bilayers; metadynamics; molecular dynamics; potential of mean force; umbrella sampling

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); DIELECTRIC LIQUIDS; LIPID BILAYERS; MOLECULAR DYNAMICS; REACTION KINETICS;

DEGREES OF FREEDOM (DOFS); ENHANCED SAMPLINGS; FREE-ENERGY CALCULATIONS; METADYNAMICS; METADYNAMICS SIMULATIONS; ONE-DIMENSIONAL REACTION COORDINATES; POTENTIAL OF MEAN FORCE; UMBRELLA SAMPLING;

FREE ENERGY;

EID: 84879204248     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz4007993     Document Type: Article

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