Exploring biomolecular dynamics and interactions using advanced sampling methods

Journal of Physics Condensed Matter

Volumn 27, Issue 32, 2015, Pages

  Luitz, Manuel ^a   Bomblies, Rainer ^a   Ostermeir, Katja ^a   Zacharias, Martin ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

accelerated sampling; conformational sampling; force field calculation; molecular dynamics simulations; peptide and protein folding; potential scaling

Indexed keywords

DESIGN; FREE ENERGY; MOLECULAR DYNAMICS; STATISTICAL MECHANICS;

BIOMOLECULAR DYNAMICS; CONFORMATIONAL SAMPLINGS; CONFORMATIONAL SEARCH; FORCE FIELD CALCULATIONS; FREE ENERGY SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; PARALLEL TEMPERING; POTENTIAL SCALING;

MONTE CARLO METHODS;

POLYMER;

ALGORITHM; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; KINETICS; MOLECULAR DYNAMICS; MONTE CARLO METHOD; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; KINETICS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD; POLYMERS; THERMODYNAMICS;

EID: 84938149421     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/27/32/323101     Document Type: Review

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