Can we obtain accurate optical properties for disordered pigment protein complexes? In our new article published in PCCP we use fully atomistic description to simulate optical spectra of the LHCII based on the crystal structure and on MD simulations.
Leggi tutto: New article on Physical Chemistry Chemical Physics
What are the new directions in multiscale QM/MM simulations? In our new perspective we share our point of view on the future of polarizable QM/MM, with a focus on the induced dipole formulation.
Leggi tutto: New perspective on Physical Chemistry Chemical Physics
Dr. Lorenzo Cupellini was awarded the “Eolo Scrocco” prize from the Theoretical and Computational Chemistry division of the Italian Chemical Society.
Leggi tutto: “Eolo Scrocco” prize awarded to Dr. Lorenzo Cupellini
Can we use NMR chemical shifts to validate the structure of light-sensing proteins? Two different structures have been proposed for a photoreceptor protein belonging to the Blue Light-Using Flavin family.
Phytochromes are a class of light-sensing proteins that activate biological functions upon absorption of red light.
How do plants protect themselves from excess light? In our new article, published on Nature Communications, we explore the role of charge-transfer states in the quenching of chlorophyll excitation by carotenoid molecules.
