Nature of Base Stacking: Reference Quantum-Chemical Stacking Energies in Ten Unique B-DNA Base-Pair Steps
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Steric interactions lead to collective tilting motion in the ribosome during mRNA-tRNA translocationHeat conductivity of DNA double helixSequence dependence of electron-induced DNA strand breakage revealed by DNA nanoarrays.Explaining the varied glycosidic conformational, G-tract length and sequence preferences for anti-parallel G-quadruplexesParmbsc1: a refined force field for DNA simulations.Recognition of 2',5'-linked oligoadenylates by human ribonuclease L: molecular dynamics study.A computational proposal for the experimentally observed discriminatory behavior of hypoxanthine, a weak universal nucleobase.A DFT study of 2-aminopurine-containing dinucleotides: prediction of stacked conformations with B-DNA structure.DNA-protein π-interactions in nature: abundance, structure, composition and strength of contacts between aromatic amino acids and DNA nucleobases or deoxyribose sugar.Guanine base stacking in G-quadruplex nucleic acids.Electronic excitation and structural relaxation of the adenine dinucleotide in gas phase and solution.yDNA versus yyDNA pyrimidines: computational analysis of the effects of unidirectional ring expansion on the preferred sugar-base orientation, hydrogen-bonding interactions and stacking abilities.The electronic structure of the four nucleotide bases in DNA, of their stacks, and of their homopolynucleotides in the absence and presence of water.Sequence-dependent thermodynamics of a coarse-grained DNA model.Structure and Electronic Properties of Unnatural Base Pairs: The Role of Dispersion Interactions.Physics-based all-atom modeling of RNA energetics and structure.Computational Approach to Explore the B/A Junction Free Energy in DNA.Weak Supramolecular Interactions Governing Parallel and Antiparallel DNA Quadruplexes: Insights from Large-Scale Quantum Mechanics Analysis of Experimentally Derived Models.The "sugar" coarse-grained DNA model.DNA base stacking: the stacked uracil/uracil and thymine/thymine minima.π-Cooperativity effect on the base stacking interactions in DNA: is there a novel stabilization factor coupled with base pairing H-bonds?Tractability gains in symmetry-adapted perturbation theory including coupled double excitations: CCD+ST(CCD) dispersion with natural orbital truncations.CCSD-PCM: improving upon the reference reaction field approximation at no cost.Basis set consistent revision of the S22 test set of noncovalent interaction energies.Computational Evaluation of Nucleotide Insertion Opposite Expanded and Widened DNA by the Translesion Synthesis Polymerase Dpo4.Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?DNA conformational flexibility study using phosphate backbone neutralization model.Impact of DFT functionals on the predicted magnesium–DNA interaction: an ONIOM studyIntriguing relations of interaction energy components in stacked nucleic acidsBenchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar–phosphate backbone and their comparison with modern density functional theory
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Nature of Base Stacking: Reference Quantum-Chemical Stacking Energies in Ten Unique B-DNA Base-Pair Steps
description
im März 2006 veröffentlichter wissenschaftlicher Artikel
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scientific article published on 01 March 2006
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wetenschappelijk artikel
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наукова стаття, опублікована в березні 2006
@uk
name
Nature of Base Stacking: Refer ...... n Unique B-DNA Base-Pair Steps
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Nature of Base Stacking: Refer ...... n Unique B-DNA Base-Pair Steps
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type
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Nature of Base Stacking: Refer ...... n Unique B-DNA Base-Pair Steps
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Nature of Base Stacking: Refer ...... n Unique B-DNA Base-Pair Steps
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Nature of Base Stacking: Refer ...... n Unique B-DNA Base-Pair Steps
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Nature of Base Stacking: Refer ...... n Unique B-DNA Base-Pair Steps
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P2093
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P356
P1476
Nature of base stacking: refer ...... n unique B-DNA base-pair steps
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Ivan Marchan
Modesto Orozco
Petr Jurecka
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P304
P356
10.1002/CHEM.200501239
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P577
2006-03-01T00:00:00Z