Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 117, Issue 15, 2013, Pages 4014-4027

  Henriksen, Niel M ^a   Roe, Daniel R ^a   Cheatham, Thomas E ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COST EFFECTIVENESS; MOLECULAR DYNAMICS; OLIGOMERS; OLIGONUCLEOTIDES; RNA; SOLVENTS;

COMPUTATIONAL COSTS; CONFORMATIONAL ANALYSIS; CONFORMATIONAL ENSEMBLE; CONFORMATIONAL SAMPLINGS; FORCE FIELD DEVELOPMENT; REPLICA EXCHANGE SIMULATION; REPLICA-EXCHANGE MOLECULAR DYNAMICS SIMULATIONS; TRADITIONAL APPROACHES;

CONFORMATIONS;

EID: 84876471104     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp400530e     Document Type: Article

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