HASHEM, SHAIMA Statistiche
HASHEM, SHAIMA
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
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Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor
2023-01-01 Mazzeo, P.; Hashem, S.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Integrated Computational Study of the Light-Activated Structure of the AppA BLUF Domain and Its Spectral Signatures
2023-01-01 Hashem, Shaima; Alteri, Giovanni Battista; Cupellini, Lorenzo; Mennucci, Benedetta
From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain
2021-01-01 Hashem, S; Macaluso, V; Nottoli, M; Lipparini, F; Cupellini, L; Mennucci, B
Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics
2021-01-01 Macaluso, V.; Hashem, S.; Nottoli, M.; Lipparini, F.; Cupellini, L.; Mennucci, B.
A polarisable QM/MM description of NMR chemical shifts of a photoreceptor protein
2020-01-01 Hashem, S.; Cupellini, L.; Lipparini, F.; Mennucci, B.