| 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 | 301 | 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 | 228 | 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, 442-452, 2004 | 190 | 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 | 173 | 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 | 147 | 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 | 144 | 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 | 125 | 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 | 118 | 2006 |
| 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 | 117 | 2020 |
| Gold complexes with thiosemicarbazones: reactions of bi-and tridentate thiosemicarbazones with dichloro [2-(dimethylaminomethyl) phenyl-C 1, N] gold (III),[Au (damp-C 1, N) Cl 2] U Abram, K Ortner, R Gust, K Sommer Journal of the Chemical Society, Dalton Transactions, 735-744, 2000 | 113* | 2000 |
| 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 | 105 | 2005 |
| Self‐degradable lipid‐like materials based on “hydrolysis accelerated by the intra‐particle enrichment of reactant (HyPER)” for messenger RNA delivery H Tanaka, T Takahashi, M Konishi, N Takata, M Gomi, D Shirane, ... Advanced Functional Materials 30 (34), 1910575, 2020 | 98 | 2020 |
| 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, 515-530, 2011 | 87 | 2011 |
| 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 | 81 | 2008 |
| 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 | 78 | 2012 |
| 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, 541-553, 2007 | 75 | 2007 |
| Fragment interaction analysis based on local MP2 T Ishikawa, Y Mochizuki, S Amari, T Nakano, H Tokiwa, S Tanaka, ... Theoretical Chemistry Accounts 118, 937-945, 2007 | 72 | 2007 |
| 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 | 70 | 2003 |
| Acceleration of fragment molecular orbital calculations with Cholesky decomposition approach Y Okiyama, T Nakano, K Yamashita, Y Mochizuki, N Taguchi, S Tanaka Chemical Physics Letters 490 (1-3), 84-89, 2010 | 69 | 2010 |
Tatsuya NakanoResearch Organization for Information Science and Technology (RIST)כתובת אימייל מאומתת בדומיין rist.or.jp