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SUMMARY:Biomolecular Hydration Shells: Dynamics and Biochemical Function -
  Professor Damien Laage\, ENS Paris
DTSTART:20190130T141500Z
DTEND:20190130T151500Z
UID:TALK115063@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:The structure and function of biomolecules are strongly influe
 nced by their hydration shells. Two key challenges are thus first to deter
 mine the extent to which the structural and dynamical properties of these 
 shells differ from those of bulk water\, and second to elucidate the role 
 played by water in the functioning of biomolecules.\n\nWe will first revie
 w the recent advances in theory\, simulations and experiment that have led
  to new and detailed insight in the dynamical properties of water molecule
 s in the hydration shells of proteins and DNA. Three central questions wil
 l be addressed: what is the size of the hydration shell? To what degree ar
 e the shell water dynamics different from bulk water? And what is the mole
 cular origin of the effect induced by the biomolecule on the water dynamic
 s\, is it rather due to the shape of the molecule or to the chemical natur
 e of the exposed groups?\n\nWe will then consider the influence of water o
 n the function of proteins\, and focus on the role of the hydration shell 
 in the catalytic activity of enzymes. Water is usually depicted as a lubri
 cant which facilitates the protein conformational transitions occurring du
 ring enzyme catalysis. Through the study of a paradigm enzyme in a water-c
 osolvent mixture\, we will show that this picture is not justified. We wil
 l identify the molecular origin of the catalytic activity enhancement by w
 ater\, and use it to suggest new routes to optimize enzymatic activities i
 n non-aqueous solvents.
LOCATION:Department of Chemistry\, Cambridge\, Unilever lecture theatre
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