Algorithms & Randomness Center (ARC)
ThinkTankTalk
Nick Sahindis (Georgia Tech)
Monday, November 15, 2021
Klaus 1116 - 11:00 am
Title: Open problems in protein folding and other molecular challenges
Abstract: The purpose of this talk is to describe a number of open optimization problems related to the prediction of molecular conformations. We first review protein folding and AlphaFold, molecular docking, and drug design. Then, we present a number of related optimization problems that are open. Our ability to solve these problems stands to benefit from:
- Closed-form expressions of convex envelopes of nonconvex functions,
- Techniques for dealing with symmetries in continuous optimization formulations, and
- Tight bounds on distances between particles in 3D based on optimality and geometric considerations.
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