P. Therese Lang

Research Interests

DOCKing to RNA

Goal: Previous studies have shown that programs that attempt to predict binding modes for small molecules in RNA targets are successful only 50-70% of the time as compared to 70-85% for proteins. Determine why there is a difference in these numbers and what can be done to improve success rates.

What we've learned from years of DOCKing

Goal: Using experience gained from preparing various test sets for the validation of DOCK 5.0 as well as the validation process itself, determine (1) if there are any reasons besides sampling and scoring function for failure and (2) if so, determine the best methods for dealing with these reasons in order to improve the chance for success.

Small Molecule Library for RNA

Goal: Develop general method for identifying novel, specific inhibitors of RNA compounds using the resources available to an academic institution.

Using in silico techniques to resolve experimental questions: HIV Kissing Dimer

Goal: According to experiments done in the Marino Lab (PNAS 2004), adenine 8 in the kissing heterodimer loop is protonated at physiological pH, an occurrence that is hypothesized to be key for dimer maturation. Use theoretical methods to (1) determine whether this is happening in wild type, (2) create a hypothesis about how and why this is occurring.