Double-strand breaks (DSBs) in DNA are extremely problematic and require intricate, complicated repair mechanisms. Inappropriate repair can result in loss of chromosomal regions or alterations of chromosome structure, all hallmarks of cancer. In order to prevent cancer development, the mechanism of DSBs must be more well understood. The use of computational modeling in order to guide experimental efforts will give better insights as to what is happening among the protein complexes involved with DSB repair. Computational techniques being used include protein-protein docking and homology modeling. Protein-protein docking is a snapshot of two proteins interacting with each other and will be used to look at a combination of the yeast proteins RAD52, MST1, and HIP1. These yeast structures were generated using homology modeling of the <i>S. pombe</i> yeast species, which entails taking a primary protein sequence and deducing possible protein structures. In the future, these computational methods could predict the outcomes of yeast experimentation with mutational analysis in a much more specific and guided way than random alanine scanning. Once the mechanism is understood, further studies may find a way to ensure DSB are repaired correctly.

Protein-protein surface modeling of DSB repair complexes

2019 Spring National Meeting

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