Mochizuki Y - Search Results

1

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

Tanaka S, Mochizuki Y, Komeiji Y, Okiyama Y, Fukuzawa K. Tanaka S, et al. Among authors: mochizuki y. Phys Chem Chem Phys. 2014 Jun 14;16(22):10310-44. doi: 10.1039/c4cp00316k. Phys Chem Chem Phys. 2014. PMID: 24740821 Review.

2

VISCANA: visualized cluster analysis of protein-ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening.

Amari S, Aizawa M, Zhang J, Fukuzawa K, Mochizuki Y, Iwasawa Y, Nakata K, Chuman H, Nakano T. Amari S, et al. Among authors: mochizuki y. J Chem Inf Model. 2006 Jan-Feb;46(1):221-30. doi: 10.1021/ci050262q. J Chem Inf Model. 2006. PMID: 16426058

3

Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: ab initio fragment molecular orbital study.

Fukuzawa K, Komeiji Y, Mochizuki Y, Kato A, Nakano T, Tanaka S. Fukuzawa K, et al. Among authors: mochizuki y. J Comput Chem. 2006 Jun;27(8):948-60. doi: 10.1002/jcc.20399. J Comput Chem. 2006. PMID: 16586530

4

Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method.

Fukuzawa K, Mochizuki Y, Tanaka S, Kitaura K, Nakano T. Fukuzawa K, et al. Among authors: mochizuki y. J Phys Chem B. 2006 Aug 17;110(32):16102-10. doi: 10.1021/jp060770i. J Phys Chem B. 2006. PMID: 16898767

5

Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator: roles of helix 12 in the coactivator binding mechanism.

Ito M, Fukuzawa K, Mochizuki Y, Nakano T, Tanaka S. Ito M, et al. Among authors: mochizuki y. J Phys Chem B. 2007 Apr 5;111(13):3525-33. doi: 10.1021/jp070054w. Epub 2007 Mar 9. J Phys Chem B. 2007. PMID: 17388485

6

Visualization analysis of inter-fragment interaction energies of CRP-cAMP-DNA complex based on the fragment molecular orbital method.

Kurisaki I, Fukuzawa K, Komeiji Y, Mochizuki Y, Nakano T, Imada J, Chmielewski A, Rothstein SM, Watanabe H, Tanaka S. Kurisaki I, et al. Among authors: mochizuki y. Biophys Chem. 2007 Oct;130(1-2):1-9. doi: 10.1016/j.bpc.2007.06.011. Epub 2007 Jul 5. Biophys Chem. 2007. PMID: 17656003

7

Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator; part II: influence of mutations in transcriptional activation function 2 activating domain core on the molecular interactions.

Ito M, Fukuzawa K, Mochizuki Y, Nakano T, Tanaka S. Ito M, et al. Among authors: mochizuki y. J Phys Chem A. 2008 Mar 13;112(10):1986-98. doi: 10.1021/jp075430r. Epub 2007 Nov 17. J Phys Chem A. 2008. PMID: 18020317

8

How does an S(N)2 reaction take place in solution? Full ab initio MD simulations for the hydrolysis of the methyl diazonium ion.

Sato M, Yamataka H, Komeiji Y, Mochizuki Y, Ishikawa T, Nakano T. Sato M, et al. Among authors: mochizuki y. J Am Chem Soc. 2008 Feb 27;130(8):2396-7. doi: 10.1021/ja710038c. Epub 2008 Feb 2. J Am Chem Soc. 2008. PMID: 18251480 No abstract available.

9

Theoretical analysis of binding specificity of influenza viral hemagglutinin to avian and human receptors based on the fragment molecular orbital method.

Iwata T, Fukuzawa K, Nakajima K, Aida-Hyugaji S, Mochizuki Y, Watanabe H, Tanaka S. Iwata T, et al. Among authors: mochizuki y. Comput Biol Chem. 2008 Jun;32(3):198-211. doi: 10.1016/j.compbiolchem.2008.03.006. Comput Biol Chem. 2008. PMID: 18485828 Free article.

10

Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.

Komeiji Y, Ishikawa T, Mochizuki Y, Yamataka H, Nakano T. Komeiji Y, et al. Among authors: mochizuki y. J Comput Chem. 2009 Jan 15;30(1):40-50. doi: 10.1002/jcc.21025. J Comput Chem. 2009. PMID: 18504778

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