Uploaded by Shivam kumar

Solvent Interactions in Biomolecular Systems

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nearly all chemical processes happen in a solvent and in the cell of course water is the solvent of life
so far water was thought to be more like a background in which the proteins interact however
salvation' sign now puts the solvent as a major player in that game we have to understand in detail
this interaction in order to understand bio molecular ecology Resolve stands for war explore
salvation so it's a consortium which includes the expertise and groups from three universities as well
as we Max Planck and secures salvation science now is a bottom-up approach where we want to
develop quantitative and predictive models of the interaction of the solvent with the solute on a
molecular level we are connecting salvation signs to biomolecular function on the one hand we are
interested in the structural dynamic properties of the smallest biomolecule which is actually water
on the other hand the effect of course ovens on the structural dynamic properties of biomolecules
such as peptides and nucleic acids we combine a variety of experimental techniques to cover for
example the whole range of interaction starting from the femtosecond up to the microsecond and
even the static interaction including diffraction techniques we use molecular beam laser
spectroscopy to study the interactions that dominate the conformational structures of biomolecular
building blocks our work contributes to a bottom-up understanding if you will of bigger bioactive
compounds in macromolecules in my research code we use charrid spectroscopy to study the wall of
water and interaction of water with proteins and biomolecules we found that the collector hydrogen
bond motion is towards the active site in this case the charge sink attack in my lab we are trying to
understand how natural ko solids osmolytes are able to help organisms withstand extreme
environmental conditions that would be for example conditions in the deep sea we are pressures up
to the 1 kilo bar level our accountant coming in to resolve I wanted to look at protein foiling and
aggregation in the context of neurodegeneration and that's why we're doing a lot of experiments in C
elegans and neurons of C elegans to come close as possible to the real question 1/3 of the cell
consists of macromolecules and not of water molecules so we learned how to interpret the influence
of those macromolecules on a protein folding reaction on an aggregation rate experimental have
gone down and become microscopic on the other hand simulation techniques have upscaled we are
mostly simulating protein molecules that is soluble proteins but also membrane proteins but most of
our computational effort is actually spent on simulating the water molecules the solvent molecules in
addition to providing mechanistic interpretations of experiments we also aim at designing and
predicting new experiments we collaborate with a pharmaceutical company to improve the
properties of biopharmaceuticals our simulations we can provide microscopic insights to go beyond
the usual trial and error approach is used which are very time and resource intensive salvation
science require the close interaction between different disciplines different groups but also in our
consortium between different institutions within resolve I investigate biomolecules solvent
interactions for example we quantify the interaction between enzymes and individual solvents
simulation is important for our projects because it adds a domestically tail and thereby it ideally
complements our experiments we are doing dynamic simulations of all of them in explicit solvent we
should probably have look at the structure of its bindings a group leader at the mass Planck Institute
for coal research in my group who investigate the role of solvent on protein protein interactions and
somatic activity and drug design in biologically relevant processes my collaboration with ranchers
focuses in the effect of solvent on enzymatic activity and also how solvent is involved in the
interactions of ligand with biomolecules we hope to find molecular rules for the optimization of
enzyme activity in various different solvents this is a direct biotechnological application zimas is a
home of salvation science at the Royal University so this is a new research building which will host
this new hired faculty the students postdocs working interdisciplinary together in the field of
salvation sign divins and new modern technologies we have here at our disposal we can come up
with models which take into account important roles which solvent have we would go beyond
biology in backo towards biology in water the solvent of life you
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