(Q34178336)

31 July 2017

title

Accurate representation of B-DNA double helical structure with implicit solvent and counterions (English)

1 reference

31 July 2017

5

Suse Broyde

1 reference

31 July 2017

Lihua Wang

1

1 reference

31 July 2017

Brian E Hingerty

series ordinal

2

1 reference

31 July 2017

A R Srinivasan

series ordinal

3

1 reference

31 July 2017

Wilma K Olson

series ordinal

4

1 reference

31 July 2017

language of work or name

English

0 references

publication date

1 July 2002

1 reference

31 July 2017

1 reference

31 July 2017

volume

83

1 reference

31 July 2017

issue

1

1 reference

31 July 2017

page(s)

382-406

1 reference

Molecular dynamics simulation of nucleic acids: successes, limitations, and promise

31 July 2017

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1 reference

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28 July 2018

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DNA structure: what's in charge?

28 July 2018

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28 July 2018

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28 July 2018

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X-ray crystallographic analysis of the hydration of A- and B-form DNA at atomic resolution

28 July 2018

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28 July 2018

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A self-consistent, microenvironment modulated screened coulomb potential approximation to calculate pH-dependent electrostatic effects in proteins

28 July 2018

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The structure of the most studied DNA fragment changes under the influence of ions: a new packing of d(CGCGAATTCGCG)

28 July 2018

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The B-DNA dodecamer at high resolution reveals a spine of water on sodium

28 July 2018

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Crystal structures of B-DNA with incorporated 2'-deoxy-2'-fluoro-arabino-furanosyl thymines: implications of conformational preorganization for duplex stability

28 July 2018

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Effect of ring size on conformations of aromatic amine-DNA adducts: the aniline-C8 guanine adduct resides in the B-DNA major groove

28 July 2018

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The effect of two antipodal fluorine-induced sugar puckers on the conformation and stability of the Dickerson-Drew dodecamer duplex [d(CGCGAATTCGCG)]2

28 July 2018

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Influence of sequence on the conformation of the B-DNA helix

28 July 2018

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X-ray and solution studies of DNA oligomers and implications for the structural basis of A-tract-dependent curvature

28 July 2018

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NMR solution structures of stereoisometric covalent polycyclic aromatic carcinogen-DNA adduct: principles, patterns, and diversity

28 July 2018

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What is the basis of sequence-directed curvature in DNAs containing A tracts?

28 July 2018

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A free energy analysis of nucleic acid base stacking in aqueous solution

28 July 2018

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Fluorescent d(CGCGAATTCGCG): characterization of major groove polarity and study of minor groove interactions through a major groove semantophore conjugate

28 July 2018

1 reference

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Classical electrostatics in biology and chemistry

28 July 2018

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Blood cell transplantation.

28 July 2018

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Nucleic acid structure analysis: a users guide to a collection of new analysis programs

28 July 2018

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Crystal structure analysis of a complete turn of B-DNA

28 July 2018

1 reference

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Structure of a B-DNA dodecamer: conformation and dynamics

28 July 2018

1 reference

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Another method for specifying furanose ring puckering

28 July 2018

1 reference

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The interpretation of protein structures: Estimation of static accessibility

28 July 2018

1 reference

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Re-refinement of the B-dodecamer d(CGCGAATTCGCG) with a comparative analysis of the solvent in it and in the Z-hexamer d(5BrCG5BrCG5BrCG)

28 July 2018

1 reference

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Energetic coupling between DNA bending and base pair opening

28 July 2018

1 reference

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The electrostatic potential of B-DNA.

28 July 2018

1 reference

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Defining the structure of irregular nucleic acids: conventions and principles

28 July 2018

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The definition of generalized helicoidal parameters and of axis curvature for irregular nucleic acids

28 July 2018

1 reference

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Characterization of the minor groove environment in a drug-DNA complex: bisbenzimide bound to the poly[d(AT)].poly[d(AT)]duplex

28 July 2018

1 reference

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Molecular dynamics simulations of active site mutants of triosephosphate isomerase

28 July 2018

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Electrostatic interactions in macromolecules: theory and applications

28 July 2018

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The electrostatic contribution to DNA base-stacking interactions.

28 July 2018

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28 July 2018

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Energetics of intercalation specificity. I. Backbone unwinding

28 July 2018

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The molecular theory of polyelectrolyte solutions with applications to the electrostatic properties of polynucleotides

28 July 2018

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An SCF Solvation Model for the Hydrophobic Effect and Absolute Free Energies of Aqueous Solvation

28 July 2018

1 reference

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Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

28 October 2018

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Stereochemical, structural, and thermodynamic origins of stability differences between stereoisomeric benzo[a]pyrene diol epoxide deoxyadenosine adducts in a DNA mutational hot spot sequence

28 October 2018

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Structure of the potassium form of CGCGAATTCGCG: DNA deformation by electrostatic collapse around inorganic cations

28 October 2018

1 reference

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Solution structure of the aminofluorene [AF]-external conformer of the anti-[AF]-C8-dG adduct opposite dC in a DNA duplex.

28 October 2018

1 reference

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Solution structure of the aminofluorene [AF]-intercalated conformer of the syn-[AF]-C8-dG adduct opposite dC in a DNA duplex.

28 October 2018

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MPD and DNA bending in crystals and in solution.

28 October 2018

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Dielectric Dispersion of Crystalline Powders of Amino Acids, Peptides, and Proteins1

28 October 2018

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Effective dielectric constant values to be used in biopolymer energy calculations

28 October 2018

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

28 October 2018

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

7 January 2021

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Pairwise solute descreening of solute charges from a dielectric medium

7 January 2021

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Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium

7 January 2021

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Prediction of DNA structure from sequence: a build-up technique

7 January 2021

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Mechanisms of frameshift mutations: insight from aromatic amines

7 January 2021

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DNA base-stacking interactions: a comparison of theoretical calculations with oligonucleotide X-ray crystal structures

7 January 2021

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Distance-dependent dielectric constants and their application to double-helical DNA

7 January 2021

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Spatial configuration of polynucleotide chains. II. Conformational energies and the average dimensions of polyribonucleotides

7 January 2021

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Modeling DNA deformations

7 January 2021

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Nuclear magnetic resonance solution structures of covalent aromatic amine-DNA adducts and their mutagenic relevance

7 January 2021

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METHOD FOR CALCULATION INTERNAL ROTATION BARRIERS

7 January 2021

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Theoretical Analysis of the Base Stacking in DNA: Choice of the Force Field and a Comparison with the Oligonucleotide Crystal Structures

7 January 2021

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Semianalytical treatment of solvation for molecular mechanics and dynamics

7 January 2021

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The Dickerson-Drew B-DNA Dodecamer Revisited at Atomic Resolution

7 January 2021

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A “Hydrat-Ion” Spine in a B-DNA Minor Groove

7 January 2021

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Theory and applications of the generalized Born solvation model in macromolecular simulations

7 January 2021

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Conformational study of trinucleoside tetraphosphate d(pCpGpCp): Transition of right-handed form to left-handed form

7 January 2021

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Structures of the (+)- and (-)-trans-7,8-dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyre ne adducts to guanine-N2 in a duplex dodecamer

7 January 2021

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PubMed

https://pubmed.ncbi.nlm.nih.gov/12080128

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Further observations on the electrical properties of hemoglobin-bound water

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PubMed

https://pubmed.ncbi.nlm.nih.gov/12080128

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Dielectric relaxation spectra of water adsorbed on lysozyme

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PubMed

https://pubmed.ncbi.nlm.nih.gov/12080128

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/S0006-3495(02)75177-1

1 reference

31 July 2017

1 reference

31 July 2017

1 reference