Proton Affinity Calculations for MRI Ligands.
نویسندگان
چکیده
منابع مشابه
Inclusion of ionization states of ligands in affinity calculations.
When estimating binding affinities of a ligand, which can exists in multiple forms, for a target molecule, one must consider all possible competing equilibria. Here, a method is presented that estimates the contribution of the protonation equilibria of a ligand in solution to the measured or calculated binding affinity. The method yields a correction to binding constants that are based on the t...
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ژورنال
عنوان ژورنال: Acta Chemica Scandinavica
سال: 1993
ISSN: 0904-213X
DOI: 10.3891/acta.chem.scand.47-0799