Happy to share the final version of my work with @foeroyingur and @IgorSchapiro highlighting the improvement obtained from the fragment-based polarizable embedding scheme when calculating the excitation energies of photoreceptor proteins with QM/MM.
https://t.co/SvVjUwWXZF
New QM/MM calculation method including the polarization effect in the MM part to estimate absorption energy in photoreceptor proteins by Jonathan at Dr. Schapiro's group! Congratulations!
https://t.co/WWUCvEHBRT https://t.co/ndgpjWsUqv