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SUMMARY:Stochastic simulation of high order molecular interactions with sp
 atial resolution and individual molecule detail: A generalised Smoluchowsk
 i theory - Mark Flegg (Monash University)
DTSTART:20160308T150000Z
DTEND:20160308T160000Z
UID:TALK64871@talks.cam.ac.uk
CONTACT:INI IT
DESCRIPTION:In biology\, intracellular molecular systems are elaborate. Sy
 stems biology and bioinformatics are examples of whole areas of research w
 hich exist to make sense of these types of complex systems. As technology 
 inevitably marches forward it has offered a tool for which complex systems
  may be investigated\; simulation. Simulating a whole human cell at the le
 vel of individual molecules and proteins is an ambitious goal for mathemat
 icians and computer scientists. There are multiple approaches to simulatin
 g stochastic intracellular molecular systems with spatial resolution. One 
 of the most common approaches\, due to its relative conceptual simplicity\
 , utilises Smoluchowski reaction kinetics. The primary characteristic of t
 hese approaches is the abstract reduction of the chemical reaction to a ru
 le that states that reactions may occur when two reactants are within a pa
 rticular distance of each other. The critical distance that is used in the
  simulation is a parameter which controls the macroscopic reaction rate. O
 ne of the greatest problems with these types of approaches is that they ar
 e only applicable to bimolecular reactions. In this presentation\, I hope 
 to demonstrate that overcoming this limitation is critical to accurate Smo
 luchowski-like simulation of diffusion-limited chemical systems which cont
 ain catalytic reactions. Often exploited in mathematics\, catalytic reacti
 ons may usually be approximated by high order reactions (reactions that in
 volve three or more reactants). I will present a generalised Smoluchowski 
 theory for diffusion-limited reaction kinetics of any order\, N.
LOCATION:Seminar Room 2\, Newton Institute
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