Alisia Fadini

Nov 8, 2024 | biorxiv.org | Alisia Fadini |Thomas Lane |Deutsches Elektronen-Synchrotron DESY |Virginia Apostolopoulou

AbstractAdvances in structural biology increasingly focus on uncovering protein dynamics and transient or weak macromolecular complexes. Such studies require modeling of low-occupancy species, for instance time-evolving intermediates and bound ligands. In protein crystallography, difference maps that compare paired perturbed and reference datasets are a powerful way to identify and aid modeling of low-occupancy species.

Aug 10, 2023 | nature.com | James Baxter |Ann Fitzpatrick |Douglas Garratt |Rhodri Morgan |Chi-Yun Lin |Jon P. Marangos | +21 more

AbstractThe photoisomerization reaction of a fluorescent protein chromophore occurs on the ultrafast timescale. The structural dynamics that result from femtosecond optical excitation have contributions from vibrational and electronic processes and from reaction dynamics that involve the crossing through a conical intersection. The creation and progression of the ultrafast structural dynamics strongly depends on optical and molecular parameters.