UNDERSTANDING OF ATOMISTIC LEVEL CHANGES IN THE PROPERTIES OF DNA 

1. Project Background and Description

In Medicine, today, we treat the symptoms of most Cancers. We only provide cures in very few cases.

We know that changes in cellular DNA are a primary cause of Cancer. However, the primary focus of most Cancer research is at the cell and tissue level. We need far better understanding of the molecular properties of DNA at the atomistic level to be able to actually CURE Cancer.

2. Project Scope

Our Research Objective will be to perform detailed calculations of chemical reactivity indicators for various structures of DNA to understand the susceptibility of various

3. High-Level Requirements

We will be performing Molecular Dynamics calculations on multiple oligomers of DNA. The oligomers will consist of multiple combinations of nucleotides. For various snapshots of simulated systems, we will perform QM/MM calculations which will provide us with the detailed atomistic information that will allow us to determine the nature of the structural properties of, and reactive sites on the DNA.

4. Deliverables

Prediction of breaks in the DNA is one property we will investigate: