BiochemistryThe Journal of Physical Chemistry BPeer-reviewed
Computational Analysis of Energy Landscapes Reveals Dynamic Features that Contribute to Binding of Inhibitors to CFTR-Associated Ligand
G. T. Holt, J. D. Jou, N. P. Gill…·B. R. Donald
The paper analyzes energy landscapes of CALP-inhibitor complexes to identify structural and dynamic features contributing to binding efficiency of kCAL01.
DOI 10.1021/acs.jpcb.9b07278