### Tuesday, July 15

3:15 PM-5:15 PM

*Building 160, Room 161j*

## MS31

Challenging Optimization Problems in Computational Biology (Part I of II)

*(Sponsored by SIAM Activity Group on Optimization, and SIAM Activity Group on Supercomputing)*
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*

**3:15 Where to Find the Computational Challenges of Biochemistry and How to Rise to Them**
- Gordon M. Crippen, University of Michigan, Ann Arbor
**3:45 Graph Algorithms, Distance Geometry and Molecular Conformation**
- Bruce Hendrickson, Sandia National Laboratories
**4:15 Distance Geometry Problems: Global Solutions**
*Jorge Moré*, Argonne National Laboratory; and Zhijun Wu, Organizer
**4:45 $O(N)$ Time and $O(N \log N)$ Time Hierarchical Tree Algorithms
for Computing Force Field in N-Body Simulations
****Guoliang Xue, University of Vermont
**

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AN97 Homepage | Program Updates|

Registration | Hotel and Dormitory Information | Transportation | Program-at-a-Glance | Program Overview

*MMD, 3/31/97*

*tjf, 5/28/97*

*MMD, 6/27/97*