QCRNA 1.0: a database of quantum calculations for RNA catalysis.
about
Solvent Structure and Hammerhead Ribozyme CatalysisThe Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet ageDensity-functional expansion methods: Grand challengesMolecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based modelsAccurate proton affinity and gas-phase basicity values for molecules important in biocatalysis.Influence of C-5 substituted cytosine and related nucleoside analogs on the formation of benzo[a]pyrene diol epoxide-dG adducts at CG base pairs of DNA.AM1/d-CB1: A Semiempirical Model for QM/MM Simulations of Chemical Glycobiology Systems.A modified QM/MM Hamiltonian with the Self-Consistent-Charge Density-Functional-Tight-Binding Theory for highly charged QM regions.Extended polarization in third-order SCC-DFTB from chemical-potential equalization.Molecular simulations of RNA 2'-O-transesterification reaction models in solution.Role of Mg2+ in hammerhead ribozyme catalysis from molecular simulationQuantum mechanical/molecular mechanical simulation study of the mechanism of hairpin ribozyme catalysisDescription of phosphate hydrolysis reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) theory. 1. Parameterization.Extensive conformational transitions are required to turn on ATP hydrolysis in myosin.Computational approaches to predicting the impact of novel bases on RNA structure and stability.Density Functional Study of the Influence of C5 Cytosine Substitution in Base Pairs with Guanine.Exocyclic deoxyadenosine adducts of 1,2,3,4-diepoxybutane: synthesis, structural elucidation, and mechanistic studies.Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization.
P2860
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P2860
QCRNA 1.0: a database of quantum calculations for RNA catalysis.
description
2006 nî lūn-bûn
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2006年の論文
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2006年学术文章
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2006年学术文章
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name
QCRNA 1.0: a database of quantum calculations for RNA catalysis.
@en
QCRNA 1.0: a database of quantum calculations for RNA catalysis.
@nl
type
label
QCRNA 1.0: a database of quantum calculations for RNA catalysis.
@en
QCRNA 1.0: a database of quantum calculations for RNA catalysis.
@nl
prefLabel
QCRNA 1.0: a database of quantum calculations for RNA catalysis.
@en
QCRNA 1.0: a database of quantum calculations for RNA catalysis.
@nl
P2093
P1476
QCRNA 1.0: a database of quantum calculations for RNA catalysis.
@en
P2093
Adam Moser
Angel Rodriguez de Lera
Brent A Gregersen
Carlos Silva Lopez
Evelyn Mayaan
George Karypis
Gijs Schaftenaar
Kevin Range
Kwangho Nam
Olalla Nieto Faza
P304
P356
10.1016/J.JMGM.2006.02.011
P577
2006-04-03T00:00:00Z