**************** The 10th., Lab Seminar *****************

Date: Thu, October 23, 2003  PM 4:00-

Place: No.616 Seminar room
　　　　　　 Graduate School of Information Science

Speaker: Youichi Jindo

Title: Structual and Dynamical Analysis of the Hydrogen of the
Alzheimer's beta-Amiloid Peptide

Abstract: 
 The amiloid beta-peptide(A beta-peputide) is currently the focus of one of the
most widely accepted and well studied theories of the origin of Alzheimer's
disease. For this reason, the peptide has been the object of many
experimental studies. In this paper, an analysis of the water molecules in
the first solvation shell obtained from the molecular dynamics simulation of
the amyloid beta(10-35)NH2 peptide and the amyloid beta(10-35)NH2E22Q "Dutch"
mutant peptide is presented. The structure, energetics, and dynamics of
water in the hydrogen shell have been investigated using a variety of
measures, including the hydrogen bond network, the water residence times for
all the peptide residues, the diffusion constant, experimentally determined
HN amide proton exchange, and the transition probabilities for water to move
from one residue to another or into the bulk.

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