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Koichiro Kato
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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
1892009
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
53*2015
Modeling of hydroxyapatite–peptide interaction based on fragment molecular orbital method
K Kato, K Fukuzawa, Y Mochizuki
Chemical Physics Letters 629, 58-64, 2015
272015
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
262020
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
252020
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
222018
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
152021
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
152020
Energetics and electronic properties of twisted single-walled carbon nanotubes
K Kato, T Koretsune, S Saito
Physical Review B 85 (11), 115448, 2012
142012
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
132011
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
102011
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
92021
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
82022
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
82020
Current Status of ABINIT-MP as a FMO Program and Related Works with Machine Learning
Y Mochizuki, K Sakakura, Y Akinaga, K Kato
JOURNAL OF COMPUTER CHEMISTRY-JAPAN 16 (5), 119-122, 2017
82017
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
72022
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
72019
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
62020
Experimentally Determined Redox Potentials of Individual (n, m)
Y Tanaka, Y Hirana, Y Niidome, K Kato, S Saito, N Nakashima
22009
Application of Model Core Potentials to Zn-and Mg-containing Metalloproteins in the Fragment Molecular Orbital Method
K Kato, A Yamamoto, C Watanabe, K Fukuzawa
Chem-Bio Informatics Journal 23, 14-25, 2023
12023
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