Critical effect of the N2 amino group on structure, dynamics, and elasticity of DNA polypurine tracts From: Biophysical Journal | Date: May 1, 2002| Author: Cheatham, Thomas E III; Et al; Hobza, Pavel; Spackova, Nad'a; Lankas, Filip | Copyright Biophysical Society May 2002. Provided by ProQuest LLC.Copyright information

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)^sub 11^GCG]^sub 2^ (N, purine base) considering guanine-cytosine (G.C), adenine-thymine (A.T), inosine-5methyl-cytosine (1-mC), and 2-amino-adenine-thymine (D-T) basepairs. The simulations unambiguously show that the structure and elasticity of N-tracts is primarily determined by the presence of the amino group in the minor groove. Simulated A-,...

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