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IJC-A Vol.48A(11) [November 2009] >


Title: Designing model protein chains using bioinspired ant algorithm
Authors: Wazir, Mohsineen
Bakhshi, A K
Keywords: Theoretical chemistry
Artificial intelligence
Biopolymers
Ant algorithms
Proteins
Electronic properties
Band structures
Issue Date: Nov-2009
Publisher: CSIR
Abstract: Ant algorithms are bioinspired algorithms aimed at finding approximate solutions to hard combinatorial optimization problems through the use of artificial ants and their indirect communication via synthetic pheromones. In the present study, the algorithm has been applied in combination with the Simple Negative Factor Counting and Inverse Iteration methods to the problem of designing proteins with pre-specified conduction properties. Band structure results of polyglycine, polyanaline and polyserine, obtained on the basis of ab initio Hartree Fock crystal orbital method using minimal basis set, have been used as the input to obtain the electronic properties of the model peptide chain. Both the -helical and β- pleated sheet configurations of the proteins have been investigated using the ant algorithm. Optimum solutions have been obtained in both cases, giving the optimum percentage compositions of the constituent amino acids, viz., polyglycine, polyalanine and polyserine, which would give the most conducting protein (i.e., the one with minimum gap and maximum electronic delocalization).
Page(s): 1477-1483
ISSN: 0975-0975(Online); 0376-4710(Print)
Source:IJC-A Vol.48A(11) [November 2009]

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