Elongation method applied to aperiodic systems- Random polypeptides, high spin alignment, polymer in solvent, and DNA

Yuriko Aoki, F. L. Gu, Yuuichi Orimoto, S. Suhai, A. Imamura

Research output: Chapter in Book/Report/Conference proceedingConference contribution

5 Citations (Scopus)

Abstract

A theoretical method, which makes us possible to efficiently obtain the electronic states of random polymers by combining oligomers at a time, is proposed. This technique is developed at the both levels of semi-empirical method by incorporating it into MOPAC and ab initio method into GAMESS program packages. The reliability and the efficiency of this method are confirmed by applying mostly to aperiodic systems such as random polypeptides, open-shell system with spin helix, polythiophenes in solvent, and DNA.

Original languageEnglish
Title of host publicationComputational Methods in Science and Engineering - Theory and Computation
Subtitle of host publicationOld Problems and New Challenges, Lectures Presented at the Int. Conf. Computational Methods in Sci. Eng. 2007 ICCMSE 2007
PublisherAmerican Institute of Physics Inc.
Pages120-137
Number of pages18
Edition1
ISBN (Print)9780735404779
DOIs
Publication statusPublished - Jan 1 2007
Event5th International Conference on Computational Methods in Science and Engineering, ICCMSE 2007 - Corfu, Greece
Duration: Sep 25 2007Sep 30 2007

Publication series

NameAIP Conference Proceedings
Number1
Volume963
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

Other5th International Conference on Computational Methods in Science and Engineering, ICCMSE 2007
CountryGreece
CityCorfu
Period9/25/079/30/07

Fingerprint

polypeptides
oligomers
helices
elongation
deoxyribonucleic acid
alignment
polymers
electronics

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

Aoki, Y., Gu, F. L., Orimoto, Y., Suhai, S., & Imamura, A. (2007). Elongation method applied to aperiodic systems- Random polypeptides, high spin alignment, polymer in solvent, and DNA. In Computational Methods in Science and Engineering - Theory and Computation: Old Problems and New Challenges, Lectures Presented at the Int. Conf. Computational Methods in Sci. Eng. 2007 ICCMSE 2007 (1 ed., pp. 120-137). (AIP Conference Proceedings; Vol. 963, No. 1). American Institute of Physics Inc.. https://doi.org/10.1063/1.2826999

Elongation method applied to aperiodic systems- Random polypeptides, high spin alignment, polymer in solvent, and DNA. / Aoki, Yuriko; Gu, F. L.; Orimoto, Yuuichi; Suhai, S.; Imamura, A.

Computational Methods in Science and Engineering - Theory and Computation: Old Problems and New Challenges, Lectures Presented at the Int. Conf. Computational Methods in Sci. Eng. 2007 ICCMSE 2007. 1. ed. American Institute of Physics Inc., 2007. p. 120-137 (AIP Conference Proceedings; Vol. 963, No. 1).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Aoki, Y, Gu, FL, Orimoto, Y, Suhai, S & Imamura, A 2007, Elongation method applied to aperiodic systems- Random polypeptides, high spin alignment, polymer in solvent, and DNA. in Computational Methods in Science and Engineering - Theory and Computation: Old Problems and New Challenges, Lectures Presented at the Int. Conf. Computational Methods in Sci. Eng. 2007 ICCMSE 2007. 1 edn, AIP Conference Proceedings, no. 1, vol. 963, American Institute of Physics Inc., pp. 120-137, 5th International Conference on Computational Methods in Science and Engineering, ICCMSE 2007, Corfu, Greece, 9/25/07. https://doi.org/10.1063/1.2826999
Aoki Y, Gu FL, Orimoto Y, Suhai S, Imamura A. Elongation method applied to aperiodic systems- Random polypeptides, high spin alignment, polymer in solvent, and DNA. In Computational Methods in Science and Engineering - Theory and Computation: Old Problems and New Challenges, Lectures Presented at the Int. Conf. Computational Methods in Sci. Eng. 2007 ICCMSE 2007. 1 ed. American Institute of Physics Inc. 2007. p. 120-137. (AIP Conference Proceedings; 1). https://doi.org/10.1063/1.2826999
Aoki, Yuriko ; Gu, F. L. ; Orimoto, Yuuichi ; Suhai, S. ; Imamura, A. / Elongation method applied to aperiodic systems- Random polypeptides, high spin alignment, polymer in solvent, and DNA. Computational Methods in Science and Engineering - Theory and Computation: Old Problems and New Challenges, Lectures Presented at the Int. Conf. Computational Methods in Sci. Eng. 2007 ICCMSE 2007. 1. ed. American Institute of Physics Inc., 2007. pp. 120-137 (AIP Conference Proceedings; 1).
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