2011 Student Research Conference:
24th Annual Student Research Conference

Computational Studies of P22 N Peptide-boxB Complex
Michael Jones
Dr. Maria Nagan, Faculty Mentor

Lambdoid bacteriophage is a type of virus that invades the bacteria Escherichia coli and controls the cell machinery to proliferate itself. One strategy for self-replication is to turn viral transcription on through the process known as antitermination. P22 N peptide recognition of boxB RNA signals this process to occur. The purpose of this computational study is to better understand the N peptide-boxB recognition. The NMR structures were retrieved from the RCSB Protein Data Bank and systems were made compatible with the biosimulation program Amber. Molecular dynamic simulations of 20 N peptide-boxB complexes in solution were carried out. Systems were determined to be equilibrated. Water analysis of production runs showed preferential water binding sites.

Keywords: astrobiology, virus, protein, simulation, RNA, biomolecule


Presentation Type: Oral Paper

Session: 13-2
Location: MG 1096
Time: 9:45

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