Here you can find all the videos of our CT4OPTO conference!

Monday, June 14, 2021 | Watch the video playlist on youtube

Session 1/1 – Investigating optical properties

Dongping Zhong, The Ohio State University, “Light-induced charge transfer triggers dimer dissociation of UVR8 photoreceptor for possible optogenetics”

Contributed speakers: 

Nadja K. Singer, University of Vienna, “From taco to banana: turn-on mechanism of a  fluorescent probe for imaging GABAA receptors”

Laura Pedraza-González, University of Siena, “Automated QM/MM model screening of rhodopsin variants  displaying enhanced fluorescence”

Ciro A. Guido, University of Padova, “Exploring the spatial features of electronic transitions in biomolecular systems by swift electrons”

Tuesday, June 15, 2021 | Watch the video playlist on youtube

Session 2/1, Interplay between CT events and environmental factors

Petra Imhof, Freie Universität Berlin, “Interplay of hydration, water mobility, and proton transfer in cytochrome c oxidase”

Andrea Amadei, University of Rome “Tor Vergata”, “On the modeling of charge transfer processes in complex chemical systems”

Contributed talks: 

Puja Goyal State, University of New York, “Modulation of adenosylcobalamin photochemistry by the CarH photoreceptor protein”

Bryan Kudisch, Princeton University, “Active-site environmental factors customize the  photophysics of photoenzymatic old yellow enzymes”

Matteo Capone, University of L’Aquila, “Multiscale modelling of the photoactivation of electron donor acceptor complexes in ene reductases”

Ruibin Liang, Texas Tech University, “Light-activation mechanism of Channelrhodopsin 2”

Fulvio Perrella, University of Naples Federico II, “Proton transfer in fluorescent proteins: a dynamical viewpoint on hydrogen bonds networks”

Session 2/2, Excited states dynamics

Gregory Scholes, Princeton University, “Electron transfer reactions: vibration and dielectric tuning”

Benedetta Mennucci, University of Pisa, “From the light absorption by the embedded chromophore to the conformational change of the protein: can we simulate such a long travel in space and time?”

Wednesday, June 16, 2021 | Watch the video playlist on youtube

Session 3/1, Excited states dynamics

Nadia Rega, University Federico II of Napoli & Center for Advanced Biomaterials for Healthcare, “Probing relaxation mechanisms of photoinduced charge transfer phenomena: combining time-resolved vibrational analysis and ab-initio molecular dynamics”

Basile Curchod, Durham University, “In silico photochemical experiments with non-Born-Oppenheimer molecular dynamics” | video on youtube

Contributed talks: 

Uriel N. Morzan, International Centre for Theoretical Physics, “Optical signature of strong hydrogen bonds”

James Green, CNR-IBB, “A fragment based approach to the quantum dynamics of  multichromophoric systems: application to the GC DNA base pair”

Francesco Di Maiolo, Goethe Universität, “Quantum molecular dynamics in out of equilibrium  environments: redfield-smoluchowski and hydrodynamic approaches” | video on youtube

Pavel S. Rukin, CNR-S3 Institute of Nanoscience, “Theoretical study of internal conversion between B and Q bands in a functionalized porphyrin”

Session 3/2, Retinal and flavin based systems

Sharon Hammes-Schiffer, Yale University, “Nonequilibrium excited state dynamics of proton-coupled electron transfer in BLUF photoreceptor proteins”

Contributed talks:

Valeria Giliberti, Istituto Italiano di Tecnologia, “Conformational changes of light-sensitive membrane proteins determined by infrared difference nanospectroscopy”

Luca Bellucci, CNR-NEST Institute of Nanoscience, “Relating retinal isomerization and deprotonation mechanism in Channelrhodopsin-2”

Himanshu Bansal, Dayalbagh Educational Institute, “Improved optogenetic retinal prostheses with Chrmine”

Xiankun Li, Princeton University, “Ultrafast dynamics of light-induced charge transfer in Lactate Monooxygenase”

Session 3/3, Retinal and flavin based systems

Ana-Nicoleta Bondar, Freie Universität Berlin, “Proton transfers with dynamic hydrogen-bond networks”

Playlists on youtube: