Electronic structures of the Cu2S2 core of the CuA site in cytochrome c oxidase and nitrous oxide reductase

  1. Yu Takano1,*,
  2. Yasuteru Shigeta1,2,
  3. Kenichi Koizumi1,†,
  4. Haruki Nakamura1

Article first published online: 26 SEP 2011

DOI: 10.1002/qua.23191

Issue

International Journal of Quantum Chemistry

International Journal of Quantum Chemistry

Special Issue: Proceedings of the International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology

Volume 112, Issue 1, pages 208–218, January 2012

Additional Information

How to Cite

Takano, Y., Shigeta, Y., Koizumi, K. and Nakamura, H. (2012), Electronic structures of the Cu2S2 core of the CuA site in cytochrome c oxidase and nitrous oxide reductase. Int. J. Quantum Chem., 112: 208–218. doi: 10.1002/qua.23191

Author Information

  1. 1

    Institute for Protein Research, Osaka University, Suita, Osaka 565-0871, Japan

  2. 2

    Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan

  1. †

    Department of Applied Physics, School of Engineering, The University of Tokyo, Tokyo 113-8656, Japan

*Institute for Protein Research, Osaka University, Suita, Osaka 565-0871, Japan

Publication History

  1. Issue published online: 3 NOV 2011
  2. Article first published online: 26 SEP 2011
  3. Manuscript Accepted: 20 MAY 2011
  4. Manuscript Received: 30 APR 2011

Funded by

  • New Energy and Industrial Technology Development Organization of Japan (NEDO)
  • Ministry of Economy, Trade, and Industry (METI) of Japan
  • Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. Grant Numbers: 20370061, 23104506
  • Research and Development of the Next-Generation Integrated Simulation of Living Matter (a part of the Development and Use of the Next-Generation Supercomputer Project of MEXT)
  • Japan Society for the Promotion of Science. Grant Number: 22685003

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