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Quantum pKa calculation module

QUANTUM pKa module identifies all possible ionized species of a given small molecule and calculates their concentration in the whole range of pH (from 0 to 14). Quantum ionization constant prediction technology is applicable to any molecular structure. You can order pka research services based on protein structure indicated below or purchase Quantum software to do research in-house:


PDB ID: 2H6W

Title: Thyroid hormone receptor bound to T3

Functional Class: Hormone/growth Factor

Primary citation: Nascimento, A.S.,Dias, S.M.G.,Nunes, F.M.,Aparicio, R.,Ambrosio, A.L.B.,Bleicher, L.,Figueira, A.C.M.,Santos, M.A.M.,Neto, M.O.,Fischer, H.,Togashi, M.,Craievich, A.F.,Garratt, R.C.,Baxter, J.D.,Webb, P.,Polikarpov, I. Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function. J.Mol.Biol. v360 pp.586-598, 2006

Abstract Title: Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function.

Keywords: Sapiens, Thyroid, 3,5,3'triiodothyronine, Hormone, S-(dimethylarsenic)cysteine, Homo, Receptor, Human, Beta-1, (2h6w:x), Pka shift, Prediction of microscopic dissociation constant, Software for calculation of microscopic dissociation constant, Pka database, Software for prediction of microscopic dissociation constant, Pka calculator, Fully ionize in solution, Ionization potential, Calculation of macroscopic dissociation constant, Prediction of macroscopic dissociation constant, Pka inhibitors, Knowledge databases, Ionization constant ka, Chemical ionization, Decay constant, Software for calculation of macroscopic dissociation constant, Software for prediction of macroscopic dissociation constant, Calculation of macroscopic dissociation constant, Prediction of macroscopic dissociation constant, Software for calculation of macroscopic dissociation constant, Software for prediction of macroscopic dissociation constant, Pka dissociation, Base ionization constants, Ionization constant for, Predict ionization constant, Acid-base dissociation constant, Predicted pka, |experimental pka, Electron ionization, Water constant, Calculation software and services, Predict ionization constant, Acid-base dissociation constant, Pka ph, Experimental pka, ,


 
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