Simulations of A-RNA duplexes. The effect of sequence, solute force field, water model, and salt concentration

Journal of Physical Chemistry B

Volumn 116, Issue 33, 2012, Pages 9899-9916

  Beššeová, Ivana ^a   Banáš, Pavel ^a,b   Kührová, Petra ^b   Košinová, Pavlína ^b   Otyepka, Michal ^a,b   Šponer, Jiří ^a,c  

^a INSTITUTE OF MATHEMATICS   (Czech Republic)

^b PALACKÝ UNIVERSITY   (Czech Republic)

^c CENTRAL EUROPEAN INSTITUTE OF TECHNOLOGY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

GEOMETRY; MOLECULAR DYNAMICS; RNA; STRUCTURE (COMPOSITION); VAN DER WAALS FORCES;

DNA DOUBLE HELICES; EXPLICIT SOLVENT MOLECULAR DYNAMICS; IONIC CONDITIONS; NEUTRAL CONDITIONS; SALT CONCENTRATION; SEQUENCE-DEPENDENT; SIMULATION DATA; VAN DER WAALS INTERACTIONS;

BIOINFORMATICS;

2 AMINOPURINE; 2,6 DIAMINOPURINE; 2,6-DIAMINOPURINE; DRUG DERIVATIVE; INORGANIC SALT; INOSINE; RNA; SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS;

2-AMINOPURINE; INOSINE; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; NUCLEIC ACID CONFORMATION; RNA; SALTS; SOLVENTS; WATER;

EID: 84867761593     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp3014817     Document Type: Article

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