QCRNA 1.0: A database of quantum calculations for RNA catalysis

Journal of Molecular Graphics and Modelling

Volumn 25, Issue 4, 2006, Pages 423-433

  Giese, Timothy J ^a   Gregersen, Brent A ^a   Liu, Yun ^a   Nam, Kwangho ^a   Mayaan, Evelyn ^a   Moser, Adam ^a   Range, Kevin ^a   Faza, Olalla Nieto ^a,b   Lopez, Carlos Silva ^a,b   Lera, Angel Rodriguez de ^b   Schaftenaar, Gijs ^d   Lopez, Xabier ^c   Lee, Tai Sung ^a,e   Karypis, George ^a   York, Darrin M ^a  

^a University of Minnesota   (United States)

^b UNIVERSITY OF VIGO   (Spain)

^c UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^d RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

^e UNIVERSITY OF MINNESOTA   (United States)

Author keywords

Database; Density functional theory; Potential energy surfaces; Reaction mechanism; RNA catalysis

Indexed keywords

BENCHMARKING; CATALYSIS; COMPUTER SIMULATION; ONLINE SYSTEMS; QUANTUM THEORY; REACTION KINETICS; RNA;

MOLECULAR MECHANICAL SIMULATIONS; POTENTIAL ENERGY SURFACES; REACTION MECHANISM; RNA CATALYSIS;

DATABASE SYSTEMS;

ARTICLE; DATA BASE; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVITY; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; QUANTUM CHEMISTRY; RNA ANALYSIS; SOLVATION;

COMPUTER GRAPHICS; DATABASES, NUCLEIC ACID; ELECTROSTATICS; QUANTUM THEORY; RNA, CATALYTIC; THERMODYNAMICS;

EID: 33751104761     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2006.02.011     Document Type: Article

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