title: Multistep modeling (MSM) of biomolecular structure application to the A-G mispair in the B-DNA environment.
abstract: A multistep modeling procedure has been evolved to study the structural changes introduced by lesions in DNA.  We report here the change in the structure of regular B-DNA geometry due to the incorporation of Ganti-Aanti mispair in place of a regular G-C pair, preserving the helix continuity.  The energetics of the structure so obtained is compared with the Ganti-Asyn configuration under similar constrained conditions.  We present the methodology adopted and discuss the results.
authors.affiliation: Unit of Theoretical Biology, Roswell Park Memorial Institute, Buffalo, NY 14263, USA.
authors.forename: S
authors.initials: S
authors.lastname: Srinivasan
authors.forename: G
authors.initials: G
authors.lastname: Raghunathan
authors.forename: M
authors.initials: M
authors.lastname: Shibata
authors.forename: R
authors.initials: R
authors.lastname: Rein
mesh_terms: D003196:Computer Graphics; D003198:Computer Simulation; D004247:DNA / Q000737:chemistry*; D004249:DNA Damage; D006860:Hydrogen Bonding; D008433:Mathematics; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D004247:DNA