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component: main
debian_mangled_uversion: 3.5.1
debian_uversion: 3.5.1
distribution: debian
last_check: 2025-12-17 02:50:03.232953
metadata: --- 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
release: sid
source: propka
status: up to date
upstream_url: https://github.com/jensengroup/propka/archive/refs/tags/v3.5.1.tar.gz
upstream_version: 3.5.1
version: 3.5.1-2
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