Biomolecular Sampling: Algorithms, Test Molecules, and Metrics

Lecture Notes in Computational Science and Engineering

Volumn 49, Issue , 2006, Pages 103-123

  Hampton, Scott S ^a   Brenner, Paul ^a   Wenger, Aaron ^a   Chatterjee, Santanu ^a   Izaguirre, Jesús A ^a  

^a University of Notre Dame   (United States)

Author keywords

Langevin Impulse; Molecular Dynamics; Monte Carlo; Nos Hoover dynamics; Replica Exchange; Shadow Hybrid Monte Carlo

Indexed keywords

AMINO ACIDS; MOLECULAR DYNAMICS; MOLECULES; MONTE CARLO METHODS; THERMODYNAMICS;

CONSTANT TEMPERATURE; HYBRID MONTE CARLO; HYBRID MONTE CARLO ALGORITHM; INHERENT LIMITATIONS; LANGEVIN; MOLECULAR SIMULATIONS; REPLICA EXCHANGE; THERMAL EQUILIBRIUMS;

IMPORTANCE SAMPLING;

EID: 34547504291     PISSN: 14397358     EISSN: None     Source Type: Book Series    
DOI: 10.1007/3-540-31618-3_7     Document Type: Article

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