Investigation of Adenine-Nucleotide Base Pairing in DNA Polymerase
Ellen B. Farmer
Dr. Bill R. Miller, Faculty Mentor
DNA polymerase plays a valuable role in DNA replication due to its ability to distinguish between correct and incorrect Watson-Crick base pairs, thereby preventing DNA mutations. At present, the interactions and the complex atomic movements that cause this behavior cannot be easily described experimentally and must therefore be determined through computational methods. Using simulations of B. stearothermophilus DNA polymerase that begin in the open, closed, and ajar structural conformations, we examined the behavior involved when an adenine residue within the DNA is paired with its Watson-Crick base pair, thymine, or an improper match such as cytosine, guanine, and adenine. Results are presented and interpreted for 500 ns of simulation time for DNA polymerase in the presence of each these base pairs.
Keywords: Chemistry , Biochemistry, Biology, Computational, DNA polymerase, DNA replication, Watson-Crick
Topic(s):Chemistry
Biology
Computer Science
Presentation Type: Poster
Session: 5-1
Location: GEO-SUB
Time: 3:30