**************** The 13th., Lab Seminar ****************************

Date: Mon, November 06, 2006  PM 1:30-

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

Speaker: Masayoshi Takayanagi

Title: Unveiling functional protein motions with picosecond x-ray crystallography and 
molecular dynamics simulations
G. Hummer, F. Schotte, P. A. Anfinrud, PNAS, 101, 15330 (2004).

Abstract:
 A joint analysis of all-atom molecular dynamics (MD) calculations and picosecond 
time-resolved x-ray structures was performed to gain single-molecule insights into
mechanisms of protein function.  Ensemble-averaged MD simulations of the L29F 
mutant of myoglobin after ligand dissociation reproduce the direction, amplitude, 
and time scales of crystallographically determined structural changes.

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