| Experimentally Determined Redox Potentials of Individual (n,m) Single‐Walled Carbon Nanotubes Y Tanaka, Y Hirana, Y Niidome, K Kato, S Saito, N Nakashima Angewandte Chemie International Edition 48 (41), 7655-7659, 2009 | 209 | 2009 |
| Implementation of Pair Interaction Energy DecompositionAnalysis and Its Applications to Protein-Ligand Systems T Tsukamoto, K Kato, A Kato, T Nakano, Y Mochizuki, K Fukuzawa J. Comput. Chem., Jpn 14, 1-9, 2015 | 62* | 2015 |
| High-precision atomic charge prediction for protein systems using fragment molecular orbital calculation and machine learning K Kato, T Masuda, C Watanabe, N Miyagawa, H Mizouchi, S Nagase, ... Journal of chemical information and modeling 60 (7), 3361-3368, 2020 | 34 | 2020 |
| Nuclear quantum effects of light and heavy water studied by all-electron first principles path integral simulations M Machida, K Kato, M Shiga The Journal of Chemical Physics 148 (10), 2018 | 29 | 2018 |
| Modeling of hydroxyapatite–peptide interaction based on fragment molecular orbital method K Kato, K Fukuzawa, Y Mochizuki Chemical Physics Letters 629, 58-64, 2015 | 29 | 2015 |
| Intermolecular interaction among Remdesivir, RNA and RNA-dependent RNA polymerase of SARS-CoV-2 analyzed by fragment molecular orbital calculation K Kato, T Honma, K Fukuzawa Journal of Molecular Graphics and Modelling 100, 107695, 2020 | 27 | 2020 |
| Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins K Fukuzawa, K Kato, C Watanabe, Y Kawashima, Y Handa, A Yamamoto, ... Journal of chemical information and modeling 61 (9), 4594-4612, 2021 | 22 | 2021 |
| ortho-Substituted Aryldiazonium Design for the Defect Configuration-Controlled Photoluminescent Functionalization of Chiral Single-Walled Carbon Nanotubes B Yu, S Naka, H Aoki, K Kato, D Yamashita, S Fujii, YK Kato, T Fujigaya, ... ACS nano 16 (12), 21452-21461, 2022 | 20 | 2022 |
| An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo K Koiwai, K Inaba, K Morohashi, S Enya, R Arai, H Kojima, T Okabe, ... Journal of Biological Chemistry 295 (20), 7154-7167, 2020 | 20 | 2020 |
| Energetics and electronic properties of twisted single-walled carbon nanotubes K Kato, T Koretsune, S Saito Physical Review B—Condensed Matter and Materials Physics 85 (11), 115448, 2012 | 18 | 2012 |
| The ABINIT-MP Program Y Mochizuki, T Nakano, K Sakakura, Y Okiyama, H Watanabe, K Kato, ... Recent Advances of the Fragment Molecular Orbital Method: Enhanced …, 2021 | 15 | 2021 |
| Geometries, electronic structures and energetics of small-diameter single-walled carbon nanotubes K Kato, S Saito Physica E: Low-dimensional Systems and Nanostructures 43 (3), 669-672, 2011 | 13 | 2011 |
| Twisting effects on carbon nanotubes: A first-principles study with helical symmetry operations K Kato, T Koretsune, S Saito Journal of Physics: Conference Series 302 (1), 012007, 2011 | 13 | 2011 |
| Interaction between calcite and adsorptive peptide analyzed by fragment molecular orbital method K Kato, K Fukuzawa, Y Mochizuki Japanese Journal of Applied Physics 58 (12), 120906, 2019 | 11 | 2019 |
| Discovery of new microscopic structures in surface water on graphene using data science K Kato, Y Maekawa, N Watanabe, K Sasaoka, T Yamamoto Japanese Journal of Applied Physics 59 (2), 025001, 2020 | 10 | 2020 |
| Fragmentation at sp2 carbon atoms in fragment molecular orbital method Y Akinaga, K Kato, T Nakano, K Fukuzawa, Y Mochizuki Journal of Computational Chemistry 41 (15), 1416-1420, 2020 | 9 | 2020 |
| Predicting the anion conductivities and alkaline stabilities of anion conducting membrane polymeric materials: development of explainable machine learning models YK Phua, T Fujigaya, K Kato Science and Technology of Advanced Materials 24 (1), 2261833, 2023 | 7 | 2023 |
| Dietary Problems Are Associated with Frailty Status in Older People with Fewer Teeth in Japan T Miyano, R Kaneko, T Kimura, M Maruoka, A Kishimura, K Kato, M Furuta, ... International Journal of Environmental Research and Public Health 19 (23), 16260, 2022 | 7 | 2022 |
| Polymer Wrapping State Changes at Defect Sites of Locally Functionalized Single-Walled Carbon Nanotubes Y Niidome, H Matsumoto, R Hamano, K Kato, T Fujigaya, T Shiraki The Journal of Physical Chemistry C 128 (12), 5146-5155, 2024 | 4 | 2024 |
| Enhanced Coarse-Grained Molecular Dynamics Simulation with a Smoothed Hybrid Potential Using a Neural Network Model R Kanada, A Tokuhisa, Y Nagasaka, S Okuno, K Amemiya, S Chiba, ... Journal of Chemical Theory and Computation 20 (1), 7-17, 2023 | 4 | 2023 |
Kaori FukuzawaOsaka UniversityEmail yang diverifikasi di phs.osaka-u.ac.jp