Quantum mechanical/molecular mechanical study of the HDV ribozyme: Impact of the catalytic metal ion on the mechanism

Journal of Physical Chemistry Letters

Volumn 2, Issue 22, 2011, Pages 2906-2911

  Ganguly, Abir ^a   Bevilacqua, Philip C ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMICAL DATA; CATALYTIC METALS; CATALYTIC SITES; CONCERTED MECHANISM; DIVALENT METAL ION; ELECTROSTATIC POTENTIAL CALCULATION; EXPERIMENTAL DATA; LEAVING GROUPS; LEWIS ACID; MONOVALENT IONS; PHOSPHODIESTER BONDS; PHOSPHORANES; QUANTUM MECHANICAL/MOLECULAR MECHANICAL CALCULATIONS; QUANTUM MECHANICAL/MOLECULAR MECHANICAL STUDIES; RIBOZYMES; SELF-CLEAVAGE; TRANSITION STATE;

MECHANISMS; METAL IONS; MOLECULAR MODELING; PROTONS; REACTION INTERMEDIATES; REACTION KINETICS;

CRYSTAL STRUCTURE;

EID: 81755171288     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz2013215     Document Type: Article

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