Population based reweighting of scaled molecular dynamics

Journal of Physical Chemistry B

Volumn 117, Issue 42, 2013, Pages 12759-12768

  Sinko, William ^a   Miao, Yinglong ^a   De Oliveira, César Augusto F ^a   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COMPUTATION THEORY; COMPUTATIONAL CHEMISTRY; FREE ENERGY; MOLECULAR PHYSICS; PHASE SPACE METHODS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RECOVERY; SAMPLING;

BOLTZMANN STATISTICS; CONFORMATIONAL SAMPLINGS; FREE ENERGY LANDSCAPE; MOLECULAR DYNAMICS METHODS; MOLECULAR DYNAMICS SIMULATIONS; PROTEIN CONFORMATION; SIMULATED STRUCTURE; STATISTICAL MECHANICAL THEORY;

MOLECULAR DYNAMICS;

ALANINE; CHIGNOLIN; DIPEPTIDE; OLIGOPEPTIDE;

ARTICLE; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS;

ALANINE; DIPEPTIDES; MOLECULAR DYNAMICS SIMULATION; OLIGOPEPTIDES; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS;

EID: 84886676069     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp401587e     Document Type: Article

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