Title of article
Hydrogen bonding of DNA base pairs by consistent charge equilibration method combined with universal force field
Author/Authors
Ogawa، نويسنده , , Tetsuji and Kurita، نويسنده , , Noriyuki and Sekino، نويسنده , , Hideo and Kitao، نويسنده , , Osamu and Tanaka، نويسنده , , Shigenori، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2003
Pages
8
From page
271
To page
278
Abstract
By combining the consistent charge equilibration (CQEq) method with universal force field (UFF), we developed the CQEq with UFF (CUFF) method and confirmed its efficiency for investigating the hydrogen bonding of DNA base pairs. By using the new parameters together with reduced van der Waals radii for hydrogen atoms, the CUFF method was capable of yielding hydrogen-bonding lengths and energies comparable with those by correlated ab initio MP2 calculations.
Journal title
Chemical Physics Letters
Serial Year
2003
Journal title
Chemical Physics Letters
Record number
1784650
Link To Document