This package is a collection of one implemenation of calculating intrinsic deuterium exchange rates of amide hydrogens based on a protein's primary sequence and the temperature and pH of the experiment.
https://github.com/Niels-Bohr-Institute-XNS-StructBiophys/PSX
Pedersen, M. C. et al. PSX, Protein–Solvent Exchange: software for calculation of deuterium-exchange effects in small-angle neutron scattering measurements from protein coordinates. J Appl Cryst 52, 1427–1436 (2019).
- Jochem Smit <jhsmit@gmail.com> / <jochem.smit@kuleuven.be>