The Future of Membrane Protein Modeling in Rosetta

Dr. Julia Koehler Leman (hosted by Wessel), Simons Foundation, New York University
January 25, 2017 at 4:00 pm
204 Crow
Event Description 

Membrane proteins are critical functional molecules in the human body, constituting targets of more than 50% of drugs on the market. A myriad of difficulties severely limit our ability to determine membrane protein structures. While computational tools are therefore instrumental to membrane protein structure prediction, the relatively small number of computational tools are not well integrated, necessitating the use of a variety of tools with different accuracies and associated file format conversions. In contrast, the Rosetta software suite is a state-of-the-art software package for biomolecular modeling with tremendous opportunities for membrane proteins. I will discuss previous work to establish an integrated framework for membrane protein modeling in Rosetta that simplifies the development of new methods for membrane proteins that are critically needed. The RosettaMP framework serves as the foundation for my current and future research to develop methods for protein-protein docking,high-resolution refinement, prediction of DDGâs, ligand docking etc., all in the membrane environment. I am further interested in predicting the effect of mutations onto membrane protein structure and function, which will be particularly useful for personalized medicine efforts in diseases like autism, cystic fibrosis, and ion channel diseases affecting the heart.

Coffee: 3:30 pm, 245 Compton