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SUMMARY:Computational Methods for the Analysis of Protein Structure\, Shap
 e and Function - Dr Richard Morris\, (John Innes Centre\, Norwich)
DTSTART:20060623T153500Z
DTEND:20060623T162000Z
UID:TALK5090@talks.cam.ac.uk
CONTACT:Duncan Simpson
DESCRIPTION:I will present some results of our research on shape descripti
 on techniques for protein structures that were developing to aid function 
 prediction. I will first describe the radial pair distribution function\, 
 show how this relates to x-ray scattering and diffraction\, \nand how empi
 rical crystallographic resolution regimes can be understood in terms of th
 is distribution and nicely explained by macromolecular structural architec
 ture. I will then introduce our methods for locating and describing the sh
 apes of protein binding pockets. I will focus mainly on spherical harmonic
  shape descriptors and their use for efficiently summarising shapes and ca
 rrying out fast comparisons. In addition\, I will present our first result
 s using a recently developed method that extends previous multipole method
 s and is well-suited for the construction of rotationally invariant descri
 ptors.\n
LOCATION:Emmanuel College Cambridge
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