Microsecond-Scale MD Simulations of HIV-1 DIS Kissing-Loop Complexes Predict Bulged-In Conformation of the Bulged Bases and Reveal Interesting Differences between Available Variants of the AMBER RNA Force Fields

Journal of Physical Chemistry B

Volumn 119, Issue 49, 2015, Pages 15176-15190

  Havrila, Marek ^a   Zgarbova, Marie ^b   Jurecka, Petr ^b   Banas, Pavel ^b   Krepl, Miroslav ^a   Otyepka, Michal ^b   Sponer, Jiri ^a,c  

^a INSTITUTE OF BIOPHYSICS   (Czech Republic)

^b PALACKÝ UNIVERSITY   (Czech Republic)

^c MASARYK UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX NETWORKS; CONFORMATIONS; DISEASES; HYDROGEN BONDS; MOLECULAR DYNAMICS; RNA; VAN DER WAALS FORCES; VIRUSES;

EXPLICIT SOLVENT MOLECULAR DYNAMICS; HYDROGEN BONDING INTERACTIONS; SIMULATION STUDIES; SIMULATION TIME; STACKING INTERACTION; STRUCTURAL INVESTIGATION; VAN DER WAALS INTERACTIONS; X-RAY STRUCTURE;

BIOINFORMATICS;

RNA;

CHEMISTRY; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR DYNAMICS; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; HIV-1; MOLECULAR DYNAMICS SIMULATION; RNA;

EID: 84949604777     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b08876     Document Type: Article

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