Wednesday, May 22
1:50-3:20 PM
Salon B

MS33
Global Optimization Methods for Molecular Conformation and Protein Folding (Part I of II)

One of the most significant and challenging problems in molecular biophysics and biochemistry is that of computing the native 3dimensional conformation (folded state) of a globular protein given its amino acid sequence, possibly in the presence of additional agents (e.g., drugs). Progress toward the solution techniques for globally minimizing nonconvex energy functions associated with the protein folding problem will facilitate the design, synthesis and utilization of pharmaceutical products, as well as the utilization of new protein materials with specific advantageous properties. The speakers in this minisymposium will discuss algorithms for computing the global minima of a class of associated nonconvex energy functions.

Organizer: Panos Pardalos
University of Florida

Algorithms for Energy Optimization of Complex Molecular Systems
John E. Straub, Boston University
Combining Hierarachical Analysis and Effective Energy Methods for Protein Free-Energy Global Minimization
David Shalloway, Cornell University
Computing the Dependence of Molecular Structure on Residue Sequence by Global Minimization
J.B. Rosen, University of California, San Diego; A.T. Phillips, US Naval Academy; Ken Dill, University of California, San Francisco

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MEM, 3/11/96