about
Close encounters with DNAConvergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC)Conformational dynamics of the human propeller telomeric DNA quadruplex on a microsecond time scale.Structure, Stiffness and Substates of the Dickerson-Drew Dodecamer.Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulations.Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates.Structure and conformational dynamics of scaffolded DNA origami nanoparticlesUnderstanding the mechanical response of double-stranded DNA and RNA under constant stretching forces using all-atom molecular dynamics.Structure and properties of DNA in apolar solvents.A Coarse-Grained Model of Unstructured Single-Stranded DNA Derived from Atomistic Simulation and Single-Molecule Experiment.Modeling nucleic acids.Unraveling the sequence-dependent polymorphic behavior of d(CpG) steps in B-DNAThe ABCs of molecular dynamics simulations on B-DNA, circa 2012.Single-molecule FRET studies of HIV TAR-DNA hairpin unfolding dynamics.Structure-based modeling of protein: DNA specificity.Why base tautomerization does not cause errors in mRNA decoding on the ribosomeμABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNASolvated protein-DNA docking using HADDOCK.Ion distributions around left- and right-handed DNA and RNA duplexes: a comparative study.NAFlex: a web server for the study of nucleic acid flexibility.Analyzing ion distributions around DNA: sequence-dependence of potassium ion distributions from microsecond molecular dynamics.Blind predictions of DNA and RNA tweezers experiments with force and torque.Simulations Meet Experiment to Reveal New Insights into DNA Intrinsic Mechanics.Coupling between Histone Conformations and DNA Geometry in Nucleosomes on a Microsecond Timescale: Atomistic Insights into Nucleosome FunctionsHighly sampled tetranucleotide and tetraloop motifs enable evaluation of common RNA force fields.Sequence-specific recognition of cancer drug-DNA adducts by HMGB1a repair proteinUnderstanding the structural and dynamic consequences of DNA epigenetic modifications: computational insights into cytosine methylation and hydroxymethylationIncorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism.An omics perspective to the molecular mechanisms of anticancer metallo-drugs in the computational microscope era.Parmbsc1: a refined force field for DNA simulations.Multiscale methods for computational RNA enzymology.Advances in the determination of nucleic acid conformational ensemblesAn experimentally-informed coarse-grained 3-Site-Per-Nucleotide model of DNA: structure, thermodynamics, and dynamics of hybridization.Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion.Fighting Cancer with Transition Metal Complexes: From Naked DNA to Protein and Chromatin Targeting Strategies.Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines.The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies.Molecular simulations of drug-receptor complexes in anticancer research.Foundations for modeling the dynamics of gene regulatory networks: a multilevel-perspective review.Atomistic-level portrayal of drug-DNA Interplay: a history of courtships and meetings revealed by molecular simulations.
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
@pt
artigo científico
@pt-br
artikel ilmiah
@id
artikull shkencor
@sq
artículo científico
@es
name
Frontiers in molecular dynamics simulations of DNA.
@en
Frontiers in molecular dynamics simulations of DNA.
@nl
type
label
Frontiers in molecular dynamics simulations of DNA.
@en
Frontiers in molecular dynamics simulations of DNA.
@nl
prefLabel
Frontiers in molecular dynamics simulations of DNA.
@en
Frontiers in molecular dynamics simulations of DNA.
@nl
P2093
P356
P1476
Frontiers in molecular dynamics simulations of DNA.
@en
P2093
Alberto Pérez
F Javier Luque
Modesto Orozco
P304
P356
10.1021/AR2001217
P407
P577
2011-08-10T00:00:00Z