Ab initio conformational analysis of nucleic acid components: intrinsic energetic contributions to nucleic acid structure and dynamics.
about
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fieldsQuantum chemical studies of nucleic acids: can we construct a bridge to the RNA structural biology and bioinformatics communities?A mechanism for S-adenosyl methionine assisted formation of a riboswitch conformation: a small molecule with a strong armEngineering the quadruplex fold: nucleoside conformation determines both folding topology and molecularity in guanine quadruplexes.Structural and functional consequences of phosphate-arsenate substitutions in selected nucleotides: DNA, RNA, and ATP.Current status of protein force fields for molecular dynamics simulations.The conformation of a ribose derivative in aqueous solution: a neutron-scattering and molecular dynamics study.Improvement of DNA and RNA Sugar Pucker Profiles from Semiempirical Quantum Methods.The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies.Microsecond molecular dynamics simulation of guanidinium chloride induced unfolding of ubiquitin.Nucleic acid reactivity: challenges for next-generation semiempirical quantum models.Additive CHARMM force field for naturally occurring modified ribonucleotides.Altered structural fluctuations in duplex RNA versus DNA: a conformational switch involving base pair opening.Analyzing the flexibility of RNA structures by constraint counting.Intrinsic contribution of the 2'-hydroxyl to RNA conformational heterogeneityContribution of the intrinsic mechanical energy of the phosphodiester linkage to the relative stability of the A, BI, and BII forms of duplex DNA.Impact of arsenic/phosphorus substitution on the intrinsic conformational properties of the phosphodiester backbone of DNA investigated using ab initio quantum mechanical calculations.Extensive backbone dynamics in the GCAA RNA tetraloop analyzed using 13C NMR spin relaxation and specific isotope labeling.Impact of 2'-hydroxyl sampling on the conformational properties of RNA: update of the CHARMM all-atom additive force field for RNA.The molecular mechanism of DNA damage recognition by MutS homologs and its consequences for cell death responseComputer simulation studies of the fidelity of DNA polymerases.Atomic charges for conformationally rich molecules obtained through a modified principal component regression.Concentration-dependent like-charge pairing of guanidinium ions and effect of guanidinium chloride on the structure and dynamics of water from all-atom molecular dynamics simulation.Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar–phosphate backbone and their comparison with modern density functional theory
P2860
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P2860
Ab initio conformational analysis of nucleic acid components: intrinsic energetic contributions to nucleic acid structure and dynamics.
description
2001 nî lūn-bûn
@nan
2001 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Ab initio conformational analy ...... c acid structure and dynamics.
@ast
Ab initio conformational analy ...... c acid structure and dynamics.
@en
Ab initio conformational analy ...... c acid structure and dynamics.
@nl
type
label
Ab initio conformational analy ...... c acid structure and dynamics.
@ast
Ab initio conformational analy ...... c acid structure and dynamics.
@en
Ab initio conformational analy ...... c acid structure and dynamics.
@nl
prefLabel
Ab initio conformational analy ...... c acid structure and dynamics.
@ast
Ab initio conformational analy ...... c acid structure and dynamics.
@en
Ab initio conformational analy ...... c acid structure and dynamics.
@nl
P2860
P1433
P1476
Ab initio conformational analy ...... c acid structure and dynamics.
@en
P2093
MacKerell AD Jr
P2860
P356
10.1002/1097-0282(2001)61:1<61::AID-BIP10047>3.0.CO;2-1
P577
2001-01-01T00:00:00Z