Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems-Reference-Cited by-同舟云学术

Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems

Published:2014 Issue:22 Volume:16 Page:10310-10344
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tanaka Shigenori¹²³,Mochizuki Yuji⁴⁵⁶⁷⁸,Komeiji Yuto⁹¹⁰¹¹,Okiyama Yoshio⁸¹²¹³,Fukuzawa Kaori⁸¹²¹³¹⁴¹⁵

Affiliation:

1. Graduate School of System Informatics

2. Kobe University

3. Kobe 657-8501, Japan

4. Department of Chemistry and Research Center for Smart Molecules

5. Faculty of Science

6. Rikkyo University

7. Tokyo 171-8501, Japan

8. Institute of Industrial Science

9. Biomedical Research Institute

10. National Institute of Advanced Industrial Science and Technology (AIST)

11. Tsukuba, Japan

12. The University of Tokyo

13. Tokyo 153-8505, Japan

14. Mizuho Information and Research Institute Inc.

15. Tokyo 101-8442, Japan

Abstract

One can perform the interaction energy analysis of protein–ligand systems in atomic detail on the basis of the fragment molecular orbital method.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP00316K

Reference322 articles.

1. Fragment molecular orbital method: an approximate computational method for large molecules

2. The importance of three-body terms in the fragment molecular orbital method

3. D. G. Fedorov and K.Kitaura , in Modern Methods for Theoretical Physical Chemistry of Biopolymers , ed. E. B. Starikov , J. P. Lewis and S. Tanaka , Elsevier , Amsterdam , 2006 , p. 3

4. Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method

5. The FRAGMENT MOLECULAR ORBIAL METHOD: Practical Applications to Large Molecular Systems , ed. D. G. Fedorov and K. Kitaura , CRC Press , Boca Raton , 2009

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