BiophysicsbioRxiv
Molecular insights on CALX-CBD12 inter-domain dynamics from MD simulations, RDCs and SAXS
M. F. S. Degenhardt, P. A. M. Vitale, L. A. Abiko…·R. Kopke Salinas
The paper characterizes the conformational ensemble of CALX-CBD12 in the Apo state using MD simulations, NMR, and SAXS, showing preference for closed conformations and Ca2+-induced extension.
DOI 10.1016/j.bpj.2021.07.022