Interaction of Water with DNA Single‐Helix in the A Conformation
- 1 October 1979
- journal article
- research article
- Published by Wiley in Biopolymers
- Vol. 18 (10) , 2431-2450
- https://doi.org/10.1002/bip.1979.360181005
Abstract
The interaction energy between water and the DNA single helix in the A conformation is computed at a number of planar cross sections perpendicular to the long axis of the helix and for cylindrical surfaces enclosing the helix. In addition, Monte Carlo simulations are presented for a small cluster of water around regions of energy minima. On the basis of these simulations, the structure of water for the DNA (single helix in the A conformation) is proposed and discussed.This publication has 30 references indexed in Scilit:
- Conformational studies on polynucleotide chains. III. Intramolecular energy maps and comparison with experimentsBiopolymers, 1978
- Conformational studies on polynucleotide chains. II. Analysis of steric interactions and derivation of potential functions for internal rotationsBiopolymers, 1978
- Conformational studies on polynucleotide chains. I. Hartree‐fock energies and description of nonbonded interactions with Lennard‐Jones potentialsBiopolymers, 1978
- Analytical potentials from "ab initio" computations for the interaction between biomolecules. 1. Water with amino acidsJournal of the American Chemical Society, 1977
- Analytical potentials from "ab initio" computations for the interaction between biomolecules. 3. Reliability and transferability of the pair potentialsJournal of the American Chemical Society, 1977
- Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acidsThe Journal of Physical Chemistry, 1975
- A theoretical study of the lithium fluoride molecule in waterThe Journal of Chemical Physics, 1974
- Intermolecular potentials from crystal data. III. Determination of empirical potentials and application to the packing configurations and lattice energies in crystals of hydrocarbons, carboxylic acids, amines, and amidesThe Journal of Physical Chemistry, 1974
- Study of the electronic structure of molecules XXII. Additional ab initio computations for the barrier to internal rotation in polynucleotide chainsThe Journal of Chemical Physics, 1974
- Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl ReactionThe Journal of Chemical Physics, 1967