Simulated tempering distributed replica sampling: A practical guide to enhanced conformational sampling

Journal of Physics: Conference Series

Volumn 256, Issue 1, 2010, Pages

  Rauscher, Sarah ^a   Pomès, Régis ^b  

^a HOSPITAL FOR SICK CHILDREN   (Canada)

^b UNIVERSITY OF TORONTO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL EFFICIENCY; DIGITAL STORAGE; EFFICIENCY; MOLECULAR DYNAMICS; STOCHASTIC SYSTEMS; TEMPERING;

BIOMOLECULAR SYSTEM; CONFORMATIONAL SAMPLINGS; ENERGETIC BARRIERS; HETEROGENEOUS COMPUTING; MOLECULAR DYNAMICS SIMULATIONS; NETWORK COMMUNICATIONS; SIMULATED TEMPERING; STATISTICAL CONVERGENCE;

DISTRIBUTED COMPUTER SYSTEMS;

EID: 79952409733     PISSN: 17426588     EISSN: 17426596     Source Type: Conference Proceeding    
DOI: 10.1088/1742-6596/256/1/012011     Document Type: Conference Paper

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