NISCAIR Online Periodicals Repository

Research Journals >
Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.48A [2009] >
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
Ant algorithms
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]

Files in This Item:

File Description SizeFormat
IJCA 48A(11) 1477-1483.pdf614.19 kBAdobe PDFView/Open
 Current Page Visits: 177 
Recommend this item


Online Submission of Articles |  NISCAIR Website |  National Knowledge Resources Consortium |  Contact us |  Feedback

Disclaimer: NISCAIR assumes no responsibility for the statements and opinions advanced by contributors. The editorial staff in its work of examining papers received for publication is helped, in an honorary capacity, by many distinguished engineers and scientists.

CC License Except where otherwise noted, the Articles on this site are licensed under Creative Commons License: CC Attribution-Noncommercial-No Derivative Works 2.5 India

Copyright © 2015 The Council of Scientific and Industrial Research, New Delhi. All rights reserved.

Powered by DSpace Copyright © 2002-2007 MIT and Hewlett-Packard | Compliant to OAI-PMH V 2.0

Home Page Total Visits: 163044 since 01-Sep-2015  Last updated on 21-Jun-2016Webmaster: