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SUMMARY:How Biomolecular Simulations of Molecules Can Help Us Understand W
 hat Matters - Florian Roessler\, Chemistry Department\, University of Camb
 ridge
DTSTART:20131024T121000Z
DTEND:20131024T130000Z
UID:TALK46667@talks.cam.ac.uk
CONTACT:Aleksandr Sahakyan
DESCRIPTION:The Role of Biomolecular Simulations can be explained by the f
 ollowing analogy\, which is along the lines of how one of the Chemistry No
 bel laureates explained it only a week: \n\nIf we take two different state
 s of a protein\, that were previously studied using two different crystall
 ographic structures\nstate one would represent the moment you drink your f
 irst beer on a night out\, and state two would be the moment you wake up w
 ith a hangover the next morning.\nSimulations enable us to fill in *some* 
 of the gaps in-between those two states. \n\nIn my talk I will briefly int
 roduce some basic theory and two of the projects that I am currently worki
 ng on. I will show how Molecular Dynamics (MD) simulations can help us to 
 elucidate protein dynamics at the atomistic level\, working hand in hand w
 ith experimental data\, and probing states that are not accessible by expe
 rimental means. In this case I will be looking at mutation-based drug resi
 stance in the HIV virus.
LOCATION:1 Newnham Terrace\, Darwin College
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