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.

----------------------------------

Speaker's Webpage

Videos of recent talks are available at: https://smartech.gatech.edu/handle/1853/46836

Click here to subscribe to the seminar email list: arc-colloq@Klauscc.gatech.edu