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October 2-8

Padova, Italy

Cluster and Grid Computing  for the  3D Structure Determination of Viruses with Unknown Symmetry

Dan C. Marinescu
School of Computer Science
University of Central Florida, Orlando, Fl, 32816, USA

Friday, October 8th, 2004
2:30pm -- 4:30pm

Abstract
The protein shell of all virus structures resolved to this date exhibit some form of symmetry, most of them are spherical viruses with icosahedral symmetry. The study of viruses whose symmetry is not known or of structures which do not exhibit any symmetry, such as the genetic material of a virus, are considerably more challenging.
Increasing the resolution of the structure determination to 3-9 A and solving structures with no symmetry represents a significant leap in virus structure determination based upon electron microscopy (EM). Computing is a major component of the 3D structure determination process. Nowadays it is not feasible to increase the resolution of the structure determination of large macromolecules like viruses, or to solve structures with no symmetry without novel parallel algorithms and environments enabling structural biologists to use parallel systems, clusters of workstations, or providing access to grid computing.
Tutorial slides are available here (about 12MB).