NEXT SEMINAR

Wednesday, May 15, at 9:00 AM ET

(6:00 AM Los Angeles, 9:00 AM New York, 2:00 PM London, 3:00 PM Berlin, 4:00 PM Athens, 9:00 PM Beijing, 10:00 PM Tokyo)

Zoom meeting ID: 959 4294 8386

(the password is the name of this series)

Thomas Schmidt, National Institute of Health, USA


Global Fitting of Biomolecular DEER Data and its Application towards Protein Structure, Dynamics and Kinetics

Conformational substates of proteins play a key role in protein folding and molecular recognition that ultimately results in conformational exchange under equilibrium and nonequilibrium conditions. In the context of large interdomain rearrangements associated with ligand binding, the free energy landscape describing the transition from the apo form to the bound form, just as in protein folding, is likely to be rugged with numerous local minima along the pathway. Here, we provide simple tools to help you build complex fitting models for non-linear least-squares problems and apply these models to DEER data. This section gives an overview of the concepts and describes how to set up and perform simple fits. Some basic knowledge of Python and modeling data are assumed – this is a tutorial on why or how to perform a minimization or fit data, and is aimed at explaining how to use global analysis to answer biomolecular questions by DEER spectroscopy.