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Hitomi Yuki
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2020 – today
- 2021
- [j6]Daisuke Takaya
, Chiduru Watanabe
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method. J. Chem. Inf. Model. 61(2): 777-794 (2021)
2010 – 2019
- 2017
- [j5]Chiduru Watanabe
Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach. J. Chem. Inf. Model. 57(12): 2996-3010 (2017) - 2013
- [j4]Daisuke Takaya
Prediction of Ligand-Induced Structural Polymorphism of Receptor Interaction Sites Using Machine Learning. J. Chem. Inf. Model. 53(3): 704-716 (2013) - 2012
- [j3]Tomohiro Sato, Hitomi Yuki
Application of Support Vector Machine to Three-Dimensional Shape-Based Virtual Screening Using Comprehensive Three-Dimensional Molecular Shape Overlay with Known Inhibitors. J. Chem. Inf. Model. 52(4): 1015-1026 (2012) - 2010
- [j2]Eri Sano, Weihua Li, Hitomi Yuki
Mechanism of the decrease in catalytic activity of human cytochrome P450 2C9 polymorphic variants investigated by computational analysis. J. Comput. Chem. 31(15): 2746-2758 (2010)
2000 – 2009
- 2008
- [c1]Yojiro Sakiyama, Hitomi Yuki, Teruki Honma:
Prediction of Human Liver Microsomal Stability with Machine Learning. IC-AI 2008: 784-786 - 2007
- [j1]Hitomi Yuki
Implementation of pi-pi interactions in molecular dynamics simulation. J. Comput. Chem. 28(6): 1091-1099 (2007)
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