Seminars
Tunnels in Static and Dynamic Protein MoleculesWritten by Michal Zemek Michal ZemekUniversity of West Bohemia Seminar in Czech May 14, 2008 at 9:30 University of West Bohemia, UK417 Abstract(download in PDF) Biochemists use a computer analysis of existence and proportions of the tunnels (cavities), leading from a biochemically significant place inside a protein to its surface. I will describe a geometric approximation of the tunnels and an application of the regular triangulation for its computation. The geometry of a protein is not static ? the positions of atoms change in time and a long sequence of ?molecule snapshots? have to be explored to find a stable tunnel. In the second part of my speech, I will describe our new method, which uses a spatial coherence of a tunnel and a clustering of atoms to accelerate the processing of a sequence of snapshots.
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