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Institute for Advanced Simulation (IAS)

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Seminar by Prof. Benedetta Mennucci

University of Pisa (Italy)

begin
12 Nov 2018 10:00
end
12 Nov 2018 11:00
venue
Lecture room 2009, Jülich GRS building (16.15)

Organisms of all domains of life are capable of sensing, using and responding to light. The molecular mechanisms used are diverse, but most commonly the starting event is an electronic excitation localized on a (multi)chromophoric unit bound to a protein matrix. The whole machinery is largely determined by the coupling between the electronic process and the biological environment. Here we present a computational strategy which integrates quantum chemistry and classical models in a mutually polarizable way. Some examples of application to light-driven bioactivity will be presented and discussed.


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