970 citations · 1.2k across the 8 of their papers we have counts for
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physics.chem-ph2017★ 15 cited
Sampling the protonation states: pH-dependent UV absorption spectrum of a polypeptide dyad
Elisa Pieri, Vincent Ledentu, Nicolas Ferré
When a chromophore interacts with titrable molecular sites, the modeling of its photophysical properties requires to take into account all their possible protonation states. We hav…
physics.chem-ph2017★ 67 cited
Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
K. Falahati, H. Tamura, H. Burghardt +1
Light absorption of myoglobin triggers diatomic ligand photolysis and spin crossover transition of iron(II) that initiate protein conformational change. The photolysis and spin cro…