Reactive conformation of the active site in the hairpin ribozyme achieved by molecular dynamics simulations with ε/ ζ Force Field Reparametrizations

Journal of Physical Chemistry B

Volumn 119, Issue 11, 2015, Pages 4220-4229

  Mlynsky, Vojtech ^a   Kuhrová, Petra ^a   Zgarbová, Marie ^a   Jurecka, Petr ^a   Walter, Nils G ^b   Otyepka, Michal ^a   Sponer, Jiri ^a,c,d   Banás, Pavel ^a,c  

^a PALACKÝ UNIVERSITY   (Czech Republic)

^b UNIVERSITY OF MICHIGAN   (United States)

^c INSTITUTE OF BIOPHYSICS   (Czech Republic)

^d MASARYK UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL MODIFICATION; CONFORMATIONS; CRYSTALLOGRAPHY; MOLECULAR DYNAMICS; RNA;

ACTIVE SITE ARCHITECTURE; CANONICAL STRUCTURE; CONFORMATIONAL BEHAVIOR; CRYSTALLOGRAPHIC DATA; MOLECULAR DYNAMICS SIMULATIONS; NONBONDED INTERACTION; REACTIVE CONFORMATION; REPARAMETRIZATION;

X RAY CRYSTALLOGRAPHY;

DNA; HAIRPIN RIBOZYME; PHOSPHATE; PROTON; RIBOSE; RIBOZYME;

CHEMISTRY; ENZYME ACTIVE SITE; METABOLISM; MOLECULAR DYNAMICS; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DNA; MOLECULAR DYNAMICS SIMULATION; PHOSPHATES; PROTONS; QUANTUM THEORY; RIBOSE; RNA, CATALYTIC;

EID: 84925265010     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp512069n     Document Type: Article

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