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Acidity Constant (pKa ) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods.

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Description scientific article published on 29 August 2016
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author: Bernd Ensing  Karen De Clerck  Sven M. J. Rogge  Veronique Van Speybroeck 

Publication date September 30, 2016
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