A molecular dynamics simulation of double-helical B-DNA including counterions and water
about
Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structuresClose encounters with DNAMolecular dynamics simulations of DNA in solutions with different counter-ions.Molecular mechanics and dynamics of an abasic frameshift in DNA and comparison to NMR data.Theoretical considerations on the "spine of hydration" in the minor groove of d(CGCGAATTCGCG).d(GCGCTTAAGCGC): Monte Carlo computer simulation.Harmonic vibrations and thermodynamic stability of a DNA oligomer in monovalent salt solution.Hydration forces between parallel DNA double helices: computer simulationsBinding of the estrogen receptor to DNA. The role of watersMolecular dynamics of an in vacuo model of duplex d(CGCGAATTCGCG) in the B-form based on the amber 3.0 force field.Grand canonical Monte Carlo molecular and thermodynamic predictions of ion effects on binding of an oligocation (L8+) to the center of DNA oligomers.UV photoelectron and ab initio quantum mechanical characterization of valence electrons in Na(+)-water-2'-deoxyguanosine 5'-phosphate clusters: electronic influences on DNA alkylation by methylating and ethylating carcinogens.Force field influences in beta-hairpin folding simulationsA molecular dynamics computer simulation of an eight-base-pair DNA fragment in aqueous solution: comparison with experimental two-dimensional NMR data.Nucleotide excision repair in Escherichia coliMolecular dynamics simulation of the hydration shell of a B-DNA decamer reveals two main types of minor-groove hydration depending on groove widthComputer simulation study of probe-target hybridization in model DNA microarrays: effect of probe surface density and target concentration.Computer simulation study of molecular recognition in model DNA microarrays.Molecular modeling of nucleic Acid structure: electrostatics and solvation.A theoretical study of the aqueous hydration of canonical B d(CGCGAATTCGCG): Monte Carlo simulation and comparison with crystallographic ordered water sites.Evaluation of DNA Force Fields in Implicit Solvation.DNA structure and perturbation by drug bindingMolecular dynamics simulations of the glucocorticoid receptor DNA-binding domain in complex with DNA and free in solution.Interaction of berenil with the tyrT DNA sequence studied by footprinting and molecular modelling. Implications for the design of sequence-specific DNA recognition agents.Capture of a Transition State Using Molecular Dynamics: Creation of an Intercalation Site in dsDNA with Ethidium Cation.Stacking-unstacking of the dinucleoside monophosphate guanylyl-3',5'-uridine studied with molecular dynamics.Molecular-dynamics simulations of [Met5]- and [D-Ala2,Met5]-enkephalins. Biological implication of monomeric folded and dimeric unfolded conformationsAn effective enzyme interacting with poly (dT-dA).poly (dT-dA): a dynamic enhancer-repressor action.Differential scanning calorimetric study of the binding of the primary water of hydration to nucleosides.Molecular-mechanics modelling of drug-DNA structures; the effects of differing dielectric treatment on helix parameters and comparison with a fully solvated structural model.Differential scanning calorimetric study of the binding of the water of hydration to deoxyadenosine.A combined 2D-NMR and molecular dynamics analysis of the structure of the actinomycin D: d(ATGCAT)2 complex.Charge grouping approaches to calculation of electrostatic forces in molecular dynamics of macromolecules.DNA dynamics in aqueous solution: opening the double helix.Molecular dynamics study of solvation effect on diffusivity changes of DNA fragments.Monte-Carlo-self consistent field method in the polyelectrolyte theory.Conformational and helicoidal analysis of 30 PS of molecular dynamics on the d(CGCGAATTCGCG) double helix: "curves", dials and windows.The intrinsic curvature of a 51 bp K-DNA fragment of Leishmania tarentolae: a molecular model.
P2860
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P2860
A molecular dynamics simulation of double-helical B-DNA including counterions and water
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on October 1985
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
A molecular dynamics simulation of double-helical B-DNA including counterions and water
@en
A molecular dynamics simulation of double-helical B-DNA including counterions and water.
@nl
type
label
A molecular dynamics simulation of double-helical B-DNA including counterions and water
@en
A molecular dynamics simulation of double-helical B-DNA including counterions and water.
@nl
prefLabel
A molecular dynamics simulation of double-helical B-DNA including counterions and water
@en
A molecular dynamics simulation of double-helical B-DNA including counterions and water.
@nl
P2093
P2860
P356
P1476
A molecular dynamics simulation of double-helical B-DNA including counterions and water
@en
P2093
G L Seibel
P A Kollman
P2860
P304
P356
10.1073/PNAS.82.19.6537
P407
P577
1985-10-01T00:00:00Z