Hydrogen‐bonding preferences in 2,6‐diaminopurine: uracil (thymine) and 8‐methyl adenine:uracil (thymine) complexes
- 1 February 1986
- journal article
- research article
- Published by Wiley in Biopolymers
- Vol. 25 (2) , 267-280
- https://doi.org/10.1002/bip.360250208
Abstract
We present molecular mechanical calculations on 2,6‐diaminopurine (2,6‐DAP):uracil (thymine) and 8‐methyladenine (8‐methyl A): uracil (thymine) hydrogen‐bonded complexes of various geometries, namely, Watson‐Crick (normal and reverse), Hoogsteen (normal and reverse), and purine N3 type. In contrast to earlier calculations [Ornstein, R. L. & Fresco, J. R. (1983) Proc. Natl. Acad. Sci. USA 80, 5171–5175], the 2,6‐DAP:uracil (thymine) complexes are predicted to be Watson‐Crick and the 8‐methyladenine:uracil (thymine) to be Hoogsteen. The results presented here are more consistent with the observed crystallographic preferences.This publication has 15 references indexed in Scilit:
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