ThinkTankTalk: Nick Sahinidis (Georgia Tech)

Algorithms & Randomness Center (ARC)


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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Event Details


  • Monday, November 15, 2021
    11:00 am - 12:00 pm