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SUMMARY:Simulation of Reversible Transitions in Multifunctional Biomolecul
 es: the Energy Landscape Perspective - Daniel Sharpe\, University of Cambr
 idge
DTSTART:20181107T144000Z
DTEND:20181107T150000Z
UID:TALK109681@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Many complex transitions in biomolecules occur on long timesca
 les and involve large-scale collective movements that preclude the use of 
 low-dimensional projections of the free energy landscape. Such problems pr
 esent challenges for many conventional dynamics-based simulation methods. 
 Here we use discrete path sampling to model reversible transitions in biom
 olecular systems. Thermodynamic and kinetic information contained within t
 he energy landscapes allows insight into how structural changes between co
 mpeting morphologies are modulated\, and is important for the rational des
 ign of multifunctional biomaterials and understanding of natural biomolecu
 le function. Examples include helical transitions in artificial DNA\, fold
 ing of G-rich DNA hairpins and strand slippage in DNA.
LOCATION:Department of Chemistry\, Cambridge\, Unilever lecture theatre
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