Calculation of the isoelectric points of native proteins with spreading of pKa values
โ Scribed by Gunnar Henriksson; Ann-Kristin Englund; Gunnar Johansson; Dr. Per Lundahl
- Publisher
- John Wiley and Sons
- Year
- 1995
- Tongue
- English
- Weight
- 338 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0173-0835
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract In this report, we present a computational methodology for the pKa prediction of proteins, based on linearโscaling molecular orbital calculations for their solutionโconformations obtained from NMR measurements. The method is used to predict the pKa values of five carboxylic acids (Asp7,
A program containing 260 sentences, written in BASIC and adapted to be run in personal computers, has been developed to calculate isoelectric point values of macromolecules (proteins, nucleic acids, polysaccharides, etc.). This implies the calculation of the coefficients and roots of a particular ki
The isoelectric point (~1) of a macromolecule containing any number of acid-base residues can be expressed as a polynomial whose coefficients are related to both the number of acid-base residues present in the molecule and their K values. Polynomials of degree higher than 5 are too complicated to be
## Abstract The main object of this work is to present the pedagogical usefulness of the theoretical methods, developed in this laboratory, for the determination of the isoelectric point (p__I__) and the net electric charge of proteins together with some comments on the naming of the acidโbase resi