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

doi:10.1063/1.2826999

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 proceeding › Conference 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 language	English
Title of host publication	Computational Methods in Science and Engineering - Theory and Computation
Subtitle of host publication	Old Problems and New Challenges, Lectures Presented at the Int. Conf. Computational Methods in Sci. Eng. 2007 ICCMSE 2007
Publisher	American Institute of Physics Inc.
Pages	120-137
Number of pages	18
Edition	1
ISBN (Print)	9780735404779
DOIs	https://doi.org/10.1063/1.2826999
Publication status	Published - Jan 1 2007
Event	5th International Conference on Computational Methods in Science and Engineering, ICCMSE 2007 - Corfu, Greece Duration: Sep 25 2007 → Sep 30 2007

Publication series

Name	AIP Conference Proceedings
Number	1
Volume	963
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Other

Other	5th International Conference on Computational Methods in Science and Engineering, ICCMSE 2007
Country	Greece
City	Corfu
Period	9/25/07 → 9/30/07

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)

Access to Document

10.1063/1.2826999

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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 proceeding › Conference 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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