CSAIL Event Calendar: Previous Series
Computational Strategies for Predicting and Designing Protein Structure and Interactions.
Speaker: Amy Keating , Biology Department, MIT
Relevant URL: http://www-math.mit.edu/compbiosem/
High-resolution, physics-based modeling is an important tool for predicting and designing protein structure. However, the extreme complexity of these problems, along with constraints introduced by computational search algorithms, necessitate the use of many approximations. This talk will address some of these, including the use of side-chain rotamers, the use of a fixed backbone, the use of pair-wise decomposable energy functions and issues related to how to model unfolded states. The nature of the problems will be illustrated, and possible solutions will be discussed. Examples will be drawn from the modeling of coiled-coil and Bcl-2 family proteins.