@misc{indiciae0098fb80a513, title = {Overview of the SAMPL6 pKa Challenge: Evaluating small molecule microscopic and macroscopic pKa predictions}, author = {Isık, M. and Rustenburg, A. S. and Rizzi, A. and Gunner, M. R. and Mobley, D. L. and Chodera, J. D.}, year = {2020}, doi = {10.1101/2020.10.15.341792}, url = {https://www.biorxiv.org/content/10.1101/2020.10.15.341792v1}, note = {Source identifier: 10.1101/2020.10.15.341792} }