Lonizable group

E. Demchuk, R. C. Wade, Improving the Continuum Dielectric Approach to Calculating pKas of lonizable Groups in Proteins, J. Phys. Chem. 1996, 100, 17373-17387. 

Gilson, M. (1993). Multiple-site Titration and Molecular Modeling 2 Rapid Methods for Computing Energies and Forces For lonizable Groups in Proteins. Proteins-structure Function and Genetics. 15 266-282. 

TABLE 21.1 Main lonizable Groups Nucleic Acids in Proteins and ... 

Protein based albumin, Hydrophobic and lonizable groups (amine Reversed phase... 

D. B. Boyd, in Reviews in Computational Chemistry, Vol. 4, K. B. Lipkowitz and D. B. Boyd, Eds., VCFI Publishers, New York, 1993, pp. 229-257. Compendium of Molecular Modeling Software. UHBD is available from Molecular Simulations Inc. DelPhi is available from BIOSYM. MEAD is described by D. Bashford and K. Gerwert, J. Mol. Biol., 224, 473 (1992). Electrostatic Calculations of the pK, Values of lonizable Groups in Bacteriorhodop-sin. MEAD can be obtained by anonymous ftp from scripps.edu (192.42.82.27) or from the author, bashford scripps.edu. 

D. Bashford and M. Karplus, Biochemistry, 9, 327 (1987). pK s of lonizable Groups in Proteins Atomic Detail from a Continuum Electrostatic Model. 

K. Langsetmo, J. A. Fuchs, C. Woodward, and K. A. Sharp, Biochemistry, 30, 7609 (1991). Linkage of Thioredoxin Stability to Titration of lonizable Groups with Perturbed pK. ... 

An important class of waterborne coatings is the family of polyurethane dispersions (PUDs). lonizable groups (usually carboxyl) incorporated to the PU backbone allow the polymer to be dispersed in water after neutralization with amines. The properties can be varied substantially depending on the structure of the polyol and diisocyanate used to prepare them. Aliphatic and cycloaliphatic isocyanates are preferred because of their low reactivity with water and... 

Terminology of Polymers with lonizable Groups and Polymers 2003... 

I Table 27.2 pK Values for lonizable Groups of Amino Acids... 

Compound Chromo- phore lonizable group 6 peak (mfi) poftk C) / peak Peak half- width (m/tf)... 

D. Bashford and K. Gerwert, /. Molec. Biol., 224, 473 (1992). Electrostatic Calculations of the pKa Values of lonizable Groups in Bacteriorhodopsin. 

B. W. Ninham and V. A. Parsegian,/. Theor. Biol., 31, 405 (1971). Electrostatic Potential between Surfaces Bearing lonizable Groups in Ionic Equilibrium with Physiologic Saline Solution. 

T. W. Healy, D. Chan, and L. R. White, Pure Appl. Chem., 52, 1207 (1980). Colloidal Behaviour of Materials with lonizable Group Surfaces. 

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