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Reference:
- Author: Søndergaard, Chresten R. and Olsson, Mats H. M. and Rostkowski, Michał and
Jensen, Jan H.
DOI: 10.1021/ct200133y
ISSN: 1549-9626
Journal: Journal of Chemical Theory and Computation
Month: Jun
Number: 7
Pages: 2284–2295
Publisher: American Chemical Society (ACS)
Title: Improved Treatment of Ligands and Coupling Effects in Empirical Calculation
and Rationalization of pKa Values
URL: https://doi.org/10.1021/ct200133y
Volume: 7
Year: 2011
- Author: Olsson, Mats H. M. and Søndergaard, Chresten R. and Rostkowski, Michal and
Jensen, Jan H.
DOI: 10.1021/ct100578z
ISSN: 1549-9626
Journal: Journal of Chemical Theory and Computation
Month: Jan
Number: 2
Pages: 525–537
Publisher: American Chemical Society (ACS)
Title: 'PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical
pKa Predictions'
URL: http://dx.doi.org/10.1021/ct100578z
Volume: 7
Year: 2011
Bug-Database: https://github.com/jensengroup/propka/issues
Bug-Submit: https://github.com/jensengroup/propka/issues/new
Repository: https://github.com/jensengroup/propka.git
Repository-Browse: https://github.com/jensengroup/propka
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