How to tackle the issues in free energy simulations of long amphiphiles interacting with lipid membranes: Convergence and local membrane deformations

Journal of Physical Chemistry B

Volumn 118, Issue 13, 2014, Pages 3572-3581

  Filipe, Hugo A L ^a   Moreno, Maria João ^a,b   Róg, Tomasz ^c   Vattulainen, Ilpo ^c,d   Loura, Luís M S ^a,e  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b UNIVERSITY OF COIMBRA   (Portugal)

^c TAMPERE UNIVERSITY OF TECHNOLOGY   (Finland)

^d UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

^e UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

CHAIN-LIKE MOLECULES; COMPUTING DISTANCES; FREE ENERGY COMPUTATIONS; FREE ENERGY SIMULATIONS; MEMBRANE BIOPHYSICS; MEMBRANE INTERFACE; MEMBRANE-WATER INTERFACE; UMBRELLA SAMPLING;

CYLINDERS (SHAPES); DEFORMATION; FREE ENERGY; HYSTERESIS; LIPIDS; MEMBRANE STRUCTURES; MOLECULES;

AMPHIPHILES;

LIPID BILAYER; MEMBRANE LIPID; WATER;

CHEMISTRY; LIPID BILAYER; MOLECULAR DYNAMICS; THERMODYNAMICS;

LIPID BILAYERS; MEMBRANE LIPIDS; MOLECULAR DYNAMICS SIMULATION; THERMODYNAMICS; WATER;

EID: 84898068334     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp501622d     Document Type: Article

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