Electrostatic interactions in the hairpin ribozyme account for the majority of the rate acceleration without chemical participation by nucleobases
about
Identification of an Imino Group Indispensable for Cleavage by a Small RibozymeA combination of receptor-based pharmacophore modeling & QM techniques for identification of human chymase inhibitorsExploring ribozyme conformational changes with X-ray crystallography.Do the hairpin and VS ribozymes share a common catalytic mechanism based on general acid-base catalysis? A critical assessment of available experimental data.Evidence for the role of active site residues in the hairpin ribozyme from molecular simulations along the reaction path.The pH dependence of hairpin ribozyme catalysis reflects ionization of an active site adenine3D QSAR pharmacophore modeling, in silico screening, and density functional theory (DFT) approaches for identification of human chymase inhibitors.Multiscale methods for computational RNA enzymology.A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations.Molecular dynamics suggest multifunctionality of an adenine imino group in acid-base catalysis of the hairpin ribozyme.Does water relay play an important role in phosphoryl transfer reactions? Insights from theoretical study of a model reaction in water and tert-butanol.Threshold occupancy and specific cation binding modes in the hammerhead ribozyme active site are required for active conformation.Theoretical studies of RNA catalysis: hybrid QM/MM methods and their comparison with MD and QM.The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies.Understanding in-line probing experiments by modeling cleavage of nonreactive RNA nucleotides.QM/MM studies of hairpin ribozyme self-cleavage suggest the feasibility of multiple competing reaction mechanisms.Reparameterization of RNA chi Torsion Parameters for the AMBER Force Field and Comparison to NMR Spectra for Cytidine and Uridine.Extensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozyme.Protonation states of the key active site residues and structural dynamics of the glmS riboswitch as revealed by molecular dynamics.Molecular dynamics and quantum mechanics of RNA: conformational and chemical change we can believe inDirect Raman measurement of an elevated base pKa in the active site of a small ribozyme in a precatalytic conformation.Investigation of binding features: effects on the interaction between CYP2A6 and inhibitors.Direct measurement of the ionization state of an essential guanine in the hairpin ribozyme.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Computational studies of novel chymase inhibitors against cardiovascular and allergic diseases: mechanism and inhibition.
P2860
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P2860
Electrostatic interactions in the hairpin ribozyme account for the majority of the rate acceleration without chemical participation by nucleobases
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
2008年论文
@zh
2008年论文
@zh-cn
name
Electrostatic interactions in ...... l participation by nucleobases
@ast
Electrostatic interactions in ...... l participation by nucleobases
@en
type
label
Electrostatic interactions in ...... l participation by nucleobases
@ast
Electrostatic interactions in ...... l participation by nucleobases
@en
prefLabel
Electrostatic interactions in ...... l participation by nucleobases
@ast
Electrostatic interactions in ...... l participation by nucleobases
@en
P2860
P356
P1433
P1476
Electrostatic interactions in ...... l participation by nucleobases
@en
P2093
Kwangho Nam
P2860
P304
P356
10.1261/RNA.863108
P407
P577
2008-06-19T00:00:00Z