Multistep modeling (MSM) of biomolecular structure application to the A-G mispair in the B-DNA environment.

TY - JOUR

T1 - Multistep modeling (MSM) of biomolecular structure application to the A-G mispair in the B-DNA environment.

AU - Srinivasan, S.

AU - Raghunathan, G.

AU - Shibata, M.

AU - Rein, R.

PY - 1986

Y1 - 1986

N2 - 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.

AB - 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.

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M3 - Article

C2 - 11542061

SN - 0360-8832

VL - 12

SP - 217

EP - 227

JO - International journal of quantum chemistry. Quantum biology symposium : proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology. International Symposium on Quantum Biology and Quantum Pharmacology

JF - International journal of quantum chemistry. Quantum biology symposium : proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology. International Symposium on Quantum Biology and Quantum Pharmacology

ER -