Subject: hydrogen bonding interaction energies

From: Venkateswarlu Divi <[email-masked]>
Date: Wed, 2 Apr 1997 19:53:32 -0600 (CST)

Hi everybody,

 I am interested in designing some non-natural analogs of DNA
 bases for triple helix forming oligonucleotides. For this part of
 the work, I want to use ab initio models for 'reasonably' accurate
 intermolecular interactions (interested to estimate free-energy of
 solvation and binding energies) between third base and major groove
 regions of native DNA base-pair.

 While I understand that a basis-set of at least 6-31G* is needed to
 acheive 'reasonable' accuracy, I am wondering whether anybody on the NET
 would suggest me an economic basis set that gives better/at least 
 similar results of 6-31G* basis set, yet computationally cheaper than
 6-31G*.

 If such basis set exist, Could you please give me references and comments 
 on the performance of such basis sets?  

 Also, I appreciate if somebody brings to my notice any work on 
 theoretical design of non-natural bases for anti-sense oligonucleotides!
 
 with regards and thanks in advance

 divi