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SAMPL6: calculation of macroscopic pKa values from ab initio quantum mechanical free energies
Selwa, Edithe, Kenney, Ian M., Beckstein, Oliver, Iorga, Bogdan I.Langue:
english
Journal:
Journal of Computer-Aided Molecular Design
DOI:
10.1007/s10822-018-0138-6
Date:
August, 2018
Fichier:
PDF, 2.01 MB
english, 2018