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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: 2HOL
Title: Crystal structure of an E. coli thi-box riboswitch bound to thiamine pyrophosphate, barium ions
	Functional Class: RNA Primary citation: Edwards, T.E.,Ferre-D`Amare, A.R. Crystal Structures of the Thi-Box Riboswitch Bound to Thiamine Pyrophosphate Analogs Reveal Adaptive RNA-Small Molecule Recognition Structure v14 pp.1459-1468, 2006

Abstract Title: Crystal Structures of the Thi-Box Riboswitch Bound to Thiamine Pyrophosphate Analogs Reveal Adaptive RNA-Small Molecule Recognition.

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