Recent years have seen considerable progress in simulations of nucleic acids.
Improvements in force fields, simulation techniques and protocols, and increasing computer …

Abstract Unrestrained 5–20-ns explicit-solvent molecular dynamics simulations using the
Cornell et al. force field have been carried out for d [GCG (N) 11 GCG] 2 (N, purine base) …

The accuracy of continuum electrostatic models, in which the solvent is represent as a
featureless dielectric medium, depends sensitively on the choice of the atomic radii used for …

NMR studies previously carried out for a DNA system with a pyrene-substituted base did not
observe NOEs involving the adenine located 5 'to the pyrene, and thus the conformation of …

Using an ab initio tight-binding formalism based on density-functional theory [Lewis et al.,
Phys. Rev. B 64, 195103-1 (2001)], we present theoretical work on the electronic states in a …

Nucleic Acids: Molecular Dynamic Simulations - Orozco - 1998 - Major Reference Works - Wiley
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