This repository contains PDB files used for a cysteine pKa Benchmark study. The dataset consisted of 16 wildtype and 10 mutant proteins with experimentally measured cysteine pKa values collected from the PKAD database.
For more information about the benchmark study performed, please refer to the following paper:
Ernest Awoonor-Williams, Andrei Golosov, and Viktor Hornak. Benchmarking in silico Tools for Cysteine pKa Prediction