LigpKa - a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations - researchr publication authors

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Paul Czodrowski, Chresten R. Søndergaard, Sebastian Dohm, Gerhard Klebe, Jens E. Nielsen. LigpKa - a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations. J. Cheminformatics, 3(S-1):21, 2011. [doi]

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