| Fragment molecular orbital method: use of approximate electrostatic potential T Nakano, T Kaminuma, T Sato, K Fukuzawa, Y Akiyama, M Uebayasi, ... Chemical Physics Letters 351 (5-6), 475-480, 2002 | 487 | 2002 |
| 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 | 305 | 2014 |
| The translation inhibitor rocaglamide targets a bimolecular cavity between eIF4A and polypurine RNA S Iwasaki, W Iwasaki, M Takahashi, A Sakamoto, C Watanabe, Y Shichino, ... Molecular cell 73 (4), 738-748. e9, 2019 | 186 | 2019 |
| 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 | 174 | 2006 |
| Ab initio quantum mechanical study of the binding energies of human estrogen receptor α with its ligands: an application of fragment molecular orbital method K Fukuzawa, K Kitaura, M Uebayasi, K Nakata, T Kaminuma, T Nakano Journal of computational chemistry 26 (1), 1-10, 2005 | 150 | 2005 |
| 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 | 145 | 2008 |
| Fragment molecular orbital method: application to molecular dynamics simulation,‘ab initio FMO-MD’ Y Komeiji, T Nakano, K Fukuzawa, Y Ueno, Y Inadomi, T Nemoto, ... Chemical physics letters 372 (3-4), 342-347, 2003 | 131 | 2003 |
| 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 | 118 | 2020 |
| 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 |
| 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 | 101 | 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 | 88 | 2011 |
| 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 |
| Molecular orbital study of neutral-neutral reactions concerning HC3N formation in interstellar space K Fukuzawa, Y Osamura The Astrophysical Journal 489 (1), 113, 1997 | 77 | 1997 |
| Recent advances of the fragment molecular orbital method Y Mochizuki, S Tanaka, K Fukuzawa Enhanced Performance and Applicability, 2021 | 70 | 2021 |
| 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 | 69 | 2008 |
| A molecular orbital study of the HC3NH++ e-dissociative recombination and its role in the production of cyanoacetylene isomers in interstellar clouds Y Osamura, K Fukuzawa, R Terzieva, E Herbst The Astrophysical Journal 519 (2), 697, 1999 | 66 | 1999 |
| Three-and four-body corrected fragment molecular orbital calculations with a novel subdividing fragmentation method applicable to structure-based drug design C Watanabe, K Fukuzawa, Y Okiyama, T Tsukamoto, A Kato, S Tanaka, ... Journal of Molecular Graphics and Modelling 41, 31-42, 2013 | 65 | 2013 |
| Large-scale FMO-MP3 calculations on the surface proteins of influenza virus, hemagglutinin (HA) and neuraminidase (NA) Y Mochizuki, K Yamashita, K Fukuzawa, K Takematsu, H Watanabe, ... Chemical Physics Letters 493 (4-6), 346-352, 2010 | 62 | 2010 |
Shigenori TanakaKobe UniversityEmail yang diverifikasi di kobe-u.ac.jp