Program – day 3

Molecular dynamics-based methods:  
Electrostatics and structural dynamics in photosynthetic processes

10th of November 2021 (all times are CET time zone, UTC +1)

14:00
Chair of the session: Tjaart Krüger (University of Pretoria, SA)
Experimental opening lecture from the chair

14:20
Keynote lecture: Siewert-Jan Marrink (University of Groningen, NL)
“Molecular Dynamics Simulations of Light Harvesting Complexes”

Break (5 mins)

15:00
Vangelis Daskalakis (Cyprus University of Technology, CY) (Invited)
“From Rigid Crystal Structures to Conformational Sampling: A tale of two Light Harvesting Complexes”

15:25
Ulrich Kleinekathöfer (Jacobs University Bremen, DE) (Invited)
“Beyond Molecular Dynamics Simulations of Light Harvesting complexes: the QM/MM-MD approach”

15:50
Marilyn Gunner (The City College of New York, US) (Invited)
“The complexity of proton paths in PSII and bacterial RCs”

Break (10 mins)

16:25
Anna Bondarenko (Northwestern University, US) (Contributed)
“Multiscale Modeling of Structural, Dynamic, and Optical Properties of Artificial Light-Harvesting Systems”

16:45
Mariano Curti (Institut Català d’Investigació Química, ES) (Contributed)
“Artificial chromophore – protein assemblies for charge separation: simulations and experiments”

17:05
Eduard Elias (Vrije Universiteit Amsterdam, NL) (Contributed)
“Harvesting the far-red with plant antenna complexes incorporating chlorophyll d”

17:25
Edoardo Cignoni (University of Pisa, IT) (Contributed)
“A new perspective for nonphotochemical quenching in plant antenna complexes”

17:45
Vladislav Slama (University of Pisa, IT) (Contributed)
“Structure of the stress-related LHCSR1 complex determined by an integrated computational strategy”

Break (10 mins)

18:15-19:15
Poster session