COMP 340 |
| Molecular dynamics simulations have been carried out to study the molecular behaviour of a DNA-biosensor. Optical and electrochemical biosensors based on conjugated polymers have been recently proposed and successfully applied to the detection of several important biological target such as DNA, RNA, and proteins. In this study, a water-soluble cationic polythiophene is used to transduce oligonucleotide hybridization with a specific 20-mer capture probe. UV_vis experiments show that different polymer-DNA structures are obtained with polycytosines and polythymines compared to random DNA. Simulations were performed on an isolated chain of polymer and a single or double strand of DNA. Results show that polycytosines and polythymines-polymer complexes adopt different conformations than random single or double helix DNA, which correlates with experimental data. |
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Poster Session
6:00 PM-8:00 PM, Tuesday, August 21, 2007 BCEC -- Ballroom Foyer, Poster
Sci-Mix
Division of Computers in Chemistry |