Molecular dynamics and quantum mechanics of RNA: conformational and chemical change we can believe in
about
QM/MM molecular dynamics studies of metal binding proteinsMolecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structuresClose encounters with DNAAntibiotics that target protein synthesisThe impact of a ligand binding on strand migration in the SAM-I riboswitchNovel Conformation of an RNA Structural SwitchMolecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structureQuantum chemical studies of nucleic acids: can we construct a bridge to the RNA structural biology and bioinformatics communities?Stacking in RNA: NMR of Four Tetramers Benchmark Molecular DynamicsMethyl transfer by substrate signaling from a knotted protein foldDisparate HDV ribozyme crystal structures represent intermediates on a rugged free-energy landscape.Understanding the origins of bacterial resistance to aminoglycosides through molecular dynamics mutational study of the ribosomal A-site.The purine riboswitch as a model system for exploring RNA biology and chemistryMolecular dynamics simulations suggest that RNA three-way junctions can act as flexible RNA structural elements in the ribosomeModeling nucleic acids.The Chemical Origin of Behavior is Rooted in AbiogenesisBidentate RNA-magnesium clamps: on the origin of the special role of magnesium in RNA folding.The role of an active site Mg(2+) in HDV ribozyme self-cleavage: insights from QM/MM calculations.Multisite ion model in concentrated solutions of divalent cations (MgCl2 and CaCl2): osmotic pressure calculations.Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: quantum mechanical/molecular mechanical free energy simulationsThe energy landscape of adenylate kinase during catalysis.Nucleotide modifications and tRNA anticodon-mRNA codon interactions on the ribosomeMolecular dynamics of a DNA Holliday junction: the inverted repeat sequence d(CCGGTACCGG)₄.RNA-Puzzles: a CASP-like evaluation of RNA three-dimensional structure predictionPrebiotic synthesis of nucleic acids and their building blocks at the atomic level - merging models and mechanisms from advanced computations and experiments.Understanding the Sequence Preference of Recurrent RNA Building Blocks using Quantum Chemistry: The Intrastrand RNA Dinucleotide Platform.Extended molecular dynamics of a c-kit promoter quadruplex.Structural study of the Fox-1 RRM protein hydration reveals a role for key water molecules in RRM-RNA recognition.Reference simulations of noncanonical nucleic acids with different χ variants of the AMBER force field: quadruplex DNA, quadruplex RNA and Z-DNA.Computational approaches to predicting the impact of novel bases on RNA structure and stability.Isosteric and nonisosteric base pairs in RNA motifs: molecular dynamics and bioinformatics study of the sarcin-ricin internal loop.The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies.B-DNA characteristics are preserved in double stranded d(A)3·d(T)3 and d(G)3·d(C)3 mini-helixes: conclusions from DFT/M06-2X study.Progress and Current Challenges in Modeling Large RNAs.Thermodynamics and kinetics of RNA tertiary structure formation in the junctionless hairpin ribozyme.How to understand atomistic molecular dynamics simulations of RNA and protein-RNA complexes?Revision of AMBER Torsional Parameters for RNA Improves Free Energy Predictions for Tetramer Duplexes with GC and iGiC Base Pairs.Chemical feasibility of the general acid/base mechanism of glmS ribozyme self-cleavage.Long-range tertiary interactions in single hammerhead ribozymes bias motional sampling toward catalytically active conformationsGenetic algorithms coupled with quantum mechanics for refinement of force fields for RNA simulation: a case study of glycosidic torsions in the canonical ribonucleosides.
P2860
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P2860
Molecular dynamics and quantum mechanics of RNA: conformational and chemical change we can believe in
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
2010年论文
@zh
2010年论文
@zh-cn
name
Molecular dynamics and quantum ...... mical change we can believe in
@en
type
label
Molecular dynamics and quantum ...... mical change we can believe in
@en
prefLabel
Molecular dynamics and quantum ...... mical change we can believe in
@en
P2860
P50
P356
P1476
Molecular dynamics and quantum ...... mical change we can believe in
@en
P2093
Jirì Sponer
Mark A Ditzler
P2860
P356
10.1021/AR900093G
P407
P577
2010-01-01T00:00:00Z