3:15 PM-5:15 PM
Building 160, Room 161j
This minisymposium brings together experts in optimization, computer science, and computational biology to discuss several important optimization problems that arise in macromolecular modeling, including the well-known phase problem in protein crystallography, the distance geometry problem in NMR structural modeling, and the potential energy minimization problem for protein conformation. The problems all involve large-scale computation, require global or nearly global optimal solutions to highly nonconvex minimization problems, and hence are very difficult to solve in general. The speakers will discuss the formulations of the problems, their mathematical and computational challenges, and the promising approaches to the problems. Session I of the minisymposium is more focused on the distance geometry problem, while the topics of Session II range from optimization approaches to the phase problem to the global potential energy minimization algorithms for protein folding.
Organizer: Zhijun Wu
Argonne National Laboratory
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