| Research Title |
The binding properties of PNA•DNA duplexes: A molecular dynamics study |
| Date of Distribution |
27 March 2013 |
| Conference |
| Title of the Conference |
The 17th International Annual Symposium on Computational Science and Engineering (ANSCSE17) |
| Organiser |
คณะวิทยาศาสตร์ มหาวิทยาลัยขอนแก่น ประเทศไทย และสมาคมวิทยาการและวิศวกรรมเชิงคอมพิวเตอร์ |
| Conference Place |
คณะวิทยาศาสตร์ มหาวิทยาลัยขอนแก่น |
| Province/State |
จังหวัดขอนแก่น |
| Conference Date |
27 March 2013 |
| To |
29 March 2013 |
| Proceeding Paper |
| Volume |
17 |
| Issue |
- |
| Page |
63-69 |
| Editors/edition/publisher |
- |
| Abstract |
Molecular dynamics (MD) simulations of nucleic acid double strands were performed in
aqueous solution. The simulated systems were aegPNA, acpcPNA(4R), acpcPNA(4S) and
DNA with GTAGATCACT sequence binding to its complementary sequence of DNA strand
in anti-parallel direction. The MD structures were stable along the simulation time. The
binding free energies (ΔGbinding) calculated using molecular mechanics combined with
generalized Born and surface area method of PNA•DNA duplexes are larger negative than
that of DNA•DNA, indicating the high stability of PNA compared with DNA system. By
comparing the stability of PNA•DNA duplexes, one found that acpcPNA(4R) •DNA resulted
the highest negative ΔGbinding. This stability is in agreement with the experimentally thermal
stability. |
| Author |
|
| Peer Review Status |
มีผู้ประเมินอิสระ |
| Level of Conference |
นานาชาติ |
| Type of Proceeding |
Full paper |
| Type of Presentation |
Oral |
| Part of thesis |
true |
| Presentation awarding |
false |
| Attach file |
|
| Citation |
0
|
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Publication
Journal Publication
ไทย