Exploring free-energy profiles through ion channels: Comparison on a test case

Journal of Computational Electronics

Volumn 6, Issue 1-3, 2007, Pages 373-376

  Piccinini, Enrico ^a   Affinito, Fabio ^a   Brunetti, Rossella ^a   Jacoboni, Carlo ^a   Ceccarelli, Matteo ^b  

^a CNR Consiglio Nazionale delle Ricerche   (Italy)

^b UNIVERSITY OF CAGLIARI   (Italy)

Author keywords

KcsA; Metadynamics; Molecular dynamics; Steered molecular dynamics; Umbrella sampling

Indexed keywords

COMPUTER SIMULATION; CONVERGENCE OF NUMERICAL METHODS; ELECTROSTATICS; FREE ENERGY; MOLECULAR DYNAMICS; PROTEINS;

METADYNAMICS; STEERED MOLECULAR DYNAMICS; UMBRELLA SAMPLING;

ION IMPLANTATION;

EID: 34247356962     PISSN: 15698025     EISSN: 15728137     Source Type: Journal    
DOI: 10.1007/s10825-006-0128-0     Document Type: Article

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