Pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction
K. V. Ledwitch, G. Kuenze, K. Larochelle, E. N. N. Okwei, L. Pankewitz, S. Ganguly, H. L. Darling, I. Coin, J. Meiler
The paper improves integral membrane protein structure prediction by integrating paramagnetic NMR restraints with RosettaNMR, achieving better model accuracy and sampling for DsbB.
bioRxiv · Sep 14, 2022 · PreprintBiophysics