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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: 1RCT

Title: Crystal structure of Human purine nucleoside phosphorylase complexed with INOSINE

Functional Class: Transferase

Primary citation: Canduri, F.,dos Santos, D.M.,Silva, R.G.,Mendes, M.A.,Basso, L.A.,Palma, M.S.,de Azevedo Jr., W.F.,Santos, D.S. Structures of human purine nucleoside phosphorylase complexed with inosine and ddI Biochem.Biophys.Res.Comm. v313 pp.907-914, 2004

Abstract Title: Structures of human purine nucleoside phosphorylase complexed with inosine and ddI.

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