Abstract:
:A first principles model for calculating hydrogen bonding interactions, previously applied to water, is here applied to the more difficult problem of interactions between DNA bases. We first consider the energetics and geometry for the A-T and the G-C basepairs, comparing our results to other calculated results as well as to experiment. Next, we study the interactions of isomorphic DNA base triplet structures, which are important because of their suggested role in the recombination process. We find that energetically the third base in the triplet tends to favor a position along the dyadic axis, where it is hydrogen bonded to both bases in the duplex.
journal_name
Biophys Jjournal_title
Biophysical journalauthors
Lewis JP,Sankey OFdoi
10.1016/S0006-3495(95)79980-5subject
Has Abstractpub_date
1995-09-01 00:00:00pages
1068-76issue
3eissn
0006-3495issn
1542-0086pii
S0006-3495(95)79980-5journal_volume
69pub_type
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pub_type: 杂志文章
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更新日期:2003-09-01 00:00:00