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Description

Data were recorded using PSTrace software (v5, PalmSens)

70 HanA

3 (1979): 437441, 10.1016/0041-008x(79)90396-x

The databases were then processed by generating all feasible tautomers for each ligand and assigning all possible protonation states at pH 7.0 2.0 by Epik, using all atom OPLS force field