An improved nucleic acid parameter set for the GROMOS force field (Q56225273)

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Philippe H Hünenberger

object named as

Philippe H. Hünenberger

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Wilfred F van Gunsteren

8

object named as

Wilfred F. van Gunsteren

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author name string

Mika A. Kastenholz

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Vincent Kräutler

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Thomas Lenz

5

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Roberto D. Lins

Journal of Computational Chemistry

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publication date

15 March 2005

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published in

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volume

26

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page(s)

725-737

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issue

7

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cites work

Simulation and modeling of nucleic acid structure, dynamics and interactions

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Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study

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A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

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Dipolar couplings as a probe of molecular dynamics and structure in solution

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

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

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DNA structure: cations in charge?

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Comparison of MD simulations and NMR experiments for hen lysozyme. Analysis of local fluctuations, cooperative motions, and global changes

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The structure of sodium thymonucleate fibres. I. The influence of water content

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The electrostatic potential of B-DNA.

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Modeling DNA in aqueous solutions: theoretical and computer simulation studies on the ion atmosphere of DNA.

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Sequence-specific binding of counterions to B-DNA.

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Water and monovalent ions in the minor groove of B-DNA oligonucleotides as seen by NMR.

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DNA-cation interactions: The major and minor grooves are flexible ionophores.

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

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

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Crystal and molecular structure of d(GTGCGCAC): investigation of the effects of base sequence on the conformation of octamer duplexes

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Recommendations for the presentation of NMR structures of proteins and nucleic acids. IUPAC-IUBMB-IUPAB Inter-Union Task Group on the Standardization of Data Bases of Protein and Nucleic Acid Structures Determined by NMR Spectroscopy

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3DNA: a software package for the analysis, rebuilding and visualization of three-dimensional nucleic acid structures

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A standard reference frame for the description of nucleic acid base-pair geometry.

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Molecular dynamics with coupling to an external bath

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journals/jcc/SoaresHKKLLOG05

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Identifiers

DOI

10.1002/JCC.20193

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DBLP publication ID

1 reference

DBLP Dataset 2021-01-02