| Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems S Tanaka, Y Mochizuki, Y Komeiji, Y Okiyama, K Fukuzawa Physical Chemistry Chemical Physics 16 (22), 10310-10344, 2014 | 234 | 2014 |
| Large scale MP2 calculations with fragment molecular orbital scheme Y Mochizuki, S Koikegami, T Nakano, S Amari, K Kitaura Chemical Physics Letters 396 (4-6), 473-479, 2004 | 197 | 2004 |
| A parallelized integral-direct second-order Møller–Plesset perturbation theory method with a fragment molecular orbital scheme Y Mochizuki, T Nakano, S Koikegami, S Tanimori, Y Abe, U Nagashima, ... Theoretical Chemistry Accounts 112 (5), 442-452, 2004 | 164 | 2004 |
| VISCANA: visualized cluster analysis of protein− ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening S Amari, M Aizawa, J Zhang, K Fukuzawa, Y Mochizuki, Y Iwasawa, ... Journal of Chemical Information and modeling 46 (1), 221-230, 2006 | 149 | 2006 |
| Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method K Fukuzawa, Y Mochizuki, S Tanaka, K Kitaura, T Nakano The Journal of Physical Chemistry B 110 (32), 16102-16110, 2006 | 137 | 2006 |
| Large scale FMO-MP2 calculations on a massively parallel-vector computer Y Mochizuki, K Yamashita, T Murase, T Nakano, K Fukuzawa, ... Chemical Physics Letters 457 (4-6), 396-403, 2008 | 121 | 2008 |
| Configuration interaction singles method with multilayer fragment molecular orbital scheme Y Mochizuki, S Koikegami, S Amari, K Segawa, K Kitaura, T Nakano Chemical physics letters 406 (4-6), 283-288, 2005 | 121 | 2005 |
| Intra‐ and intermolecular interactions between cyclic‐AMP receptor protein and DNA: Ab initio fragment molecular orbital study K Fukuzawa, Y Komeiji, Y Mochizuki, A Kato, T Nakano, S Tanaka Journal of computational chemistry 27 (8), 948-960, 2006 | 110 | 2006 |
| Method for epitaxial growth of semiconductor crystal by using halogenide Y Mochizuki, Y Chiba, T Takada, A Usui US Patent 5,469,806, 1995 | 106 | 1995 |
| A configuration analysis for fragment interaction Y Mochizuki, K Fukuzawa, A Kato, S Tanaka, K Kitaura, T Nakano Chemical physics letters 410 (4-6), 247-253, 2005 | 100 | 2005 |
| How Does an SN2 Reaction Take Place in Solution? Full Ab Initio MD Simulations for the Hydrolysis of the Methyl Diazonium Ion M Sato, H Yamataka, Y Komeiji, Y Mochizuki, T Ishikawa, T Nakano Journal of the American Chemical Society 130 (8), 2396-2397, 2008 | 79 | 2008 |
| Higher-order correlated calculations based on fragment molecular orbital scheme Y Mochizuki, K Yamashita, T Nakano, Y Okiyama, K Fukuzawa, N Taguchi, ... Theoretical Chemistry Accounts 130 (2), 515-530, 2011 | 76 | 2011 |
| Parallelized integral-direct CIS (D) calculations with multilayer fragment molecular orbital scheme Y Mochizuki, K Tanaka, K Yamashita, T Ishikawa, T Nakano, S Amari, ... Theoretical Chemistry Accounts 117 (4), 541-553, 2007 | 72 | 2007 |
| Fragment interaction analysis based on local MP2 T Ishikawa, Y Mochizuki, S Amari, T Nakano, H Tokiwa, S Tanaka, ... Theoretical Chemistry Accounts 118 (5), 937-945, 2007 | 69 | 2007 |
| Fragment molecular orbital based interaction analyses on COVID-19 main protease− inhibitor N3 complex (PDB ID: 6LU7) R Hatada, K Okuwaki, Y Mochizuki, Y Handa, K Fukuzawa, Y Komeiji, ... Journal of chemical information and modeling 60 (7), 3593-3602, 2020 | 66 | 2020 |
| Fragment molecular orbital-based molecular dynamics (FMO-MD), a quantum simulation tool for large molecular systems Y Komeiji, Y Mochizuki, T Nakano, DG Fedorov Journal of Molecular Structure: THEOCHEM 898 (1-3), 2-7, 2009 | 65 | 2009 |
| A fully quantum mechanical simulation study on the lowest n–π∗ state of hydrated formaldehyde Y Mochizuki, Y Komeiji, T Ishikawa, T Nakano, H Yamataka Chemical physics letters 437 (1-3), 66-72, 2007 | 65 | 2007 |
| Development of the four-body corrected fragment molecular orbital (FMO4) method T Nakano, Y Mochizuki, K Yamashita, C Watanabe, K Fukuzawa, ... Chemical Physics Letters 523, 128-133, 2012 | 64 | 2012 |
| Theoretical analysis of binding specificity of influenza viral hemagglutinin to avian and human receptors based on the fragment molecular orbital method T Iwata, K Fukuzawa, K Nakajima, S Aida-Hyugaji, Y Mochizuki, ... Computational biology and chemistry 32 (3), 198-211, 2008 | 64 | 2008 |
| Comparative study of dehydrogenation of methanol at Pt (1 1 1)/water and Pt (1 1 1)/vacuum interfaces Y Okamoto, O Sugino, Y Mochizuki, T Ikeshoji, Y Morikawa Chemical physics letters 377 (1-2), 236-242, 2003 | 64 | 2003 |
Tatsuya NakanoSection Chief, National Institute of Health SciencesBestätigte E-Mail-Adresse bei nihs.go.jp
