Bias-exchange metadynamics simulations: An efficient strategy for the analysis of conduction and selectivity in ion channels

Journal of Chemical Theory and Computation

Volumn 11, Issue 4, 2015, Pages 1896-1906

  Domene, Carmen ^a,b   Barbini, Paolo ^c   Furini, Simone ^a,c  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b KING'S COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF SIENA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIAL PROTEIN; ION; POTASSIUM; SODIUM; SODIUM CHANNEL;

ALGORITHM; ARCOBACTER; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; PROTEIN DATABASE; THERMODYNAMICS;

ALGORITHMS; ARCOBACTER; BACTERIAL PROTEINS; DATABASES, PROTEIN; IONS; MOLECULAR DYNAMICS SIMULATION; POTASSIUM; SODIUM; SODIUM CHANNELS; THERMODYNAMICS;

EID: 84927740376     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct501053x     Document Type: Article

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