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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).
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Title: Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors |
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Functional Class: Hydrolase Primary citation: Amarasinghe, K.K.,Evdokimov, A.G.,Xu, K.,Clark, C.M.,Maier, M.B.,Srivastava, A.,Colson, A.O.,Gerwe, G.S.,Stake, G.E.,Howard, B.W.,Pokross, M.E.,Gray, J.L.,Peters, K.G. Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta. Bioorg.Med.Chem.Lett. v16 pp.4252-4256, 2006 |
Abstract Title: Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.
Keywords: Sapiens, Type,, Acid, (2h02:a,, {4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-, Homo, Receptor, Human, Protein, 3-oxopropyl]phenyl}sulfamic, Phosphatase,, Tyrosine, 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, ,
