An algorithm is presented for the efficient and accurate computation of the coefficients of the characteristic polynomial of a general square matrix. The algorithm is especially suited for the evaluation of canonical traces in determinant quantum Monte-Carlo methods.
An algorithm for the computer calculation of the coefficients of a polynomial that allows determination of isoelectric points of proteins and other macromolecules
✍ Scribed by João Meireles Ribeiro; Antonio Sillero
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 623 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0010-4825
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✦ Synopsis
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 solved manually. An algorithm is here presented which allows, with few sentences written in BASIC, the calculation of the polynomial coefficients. With this knowledge and using standard polynomial solving programs. the isoelectric point of the macromolecule can be calculated. Isoelectric point Proteins Microcomputer program Polynomial functions
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