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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: 2H4P

Title: Crystal structure of wildtype MENT in the cleaved conformation

Functional Class: Hydrolase Inhibitor

Primary citation: McGowan, S.,Buckle, A.M.,Irving, J.A.,Ong, P.C.,Bashtannyk-Puhalovich, T.A.,Kan, W.T.,Henderson, K.N.,Bulynko, Y.A.,Popova, E.Y.,Smith, A.I.,Bottomley, S.P.,Rossjohn, J.,Grigoryev, S.A.,Pike, R.N.,Whisstock, J.C. X-ray crystal structure of MENT: evidence for functional loop-sheet polymers in chromatin condensation. Embo J. v25 pp.3144-3155, 2006

Abstract Title: X-ray crystal structure of MENT: evidence for functional loop-sheet polymers in chromatin condensation.

Keywords: Gallus, Ment, Heterochromatin-associated, (2h4p:a), (2h4p:b), Gallus, Chicken, Protein, 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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