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[School of Mathematics and Statistics]
Applied Mathematics Seminar
    
  
 
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Serdar Kuyucak
School of Physics, University of Sydney

Computer simulations of biomolecular systems: Lessons from modeling of permeation in ion channels.

Wednesday 18th May, 14:05-14:55pm, Carslaw Building Room 373.

Computer simulations has had a profound impact on molecular biology and the associated fields in medicine and pharmacology (successes of in silico drug design has turned the drug companies into largest employers of computational scientists). While there has been a great deal of progress in simulation methods and their applications to biomolecular systems, lack of critical evaluation of both the techniques employed and the results obtained is a worry. In this talk I will use modeling of ion permeation in membrane channels as an example to illustrate the problems faced in the field (i.e. connecting microscopics with mesoscopics and bridging the time gap), the progress made so far, and the challenges that lie ahead.