Hitomi Yuki

According to our database, Hitomi Yuki authored at least 7 papers between 2007 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method.

Daisuke Takaya, Chiduru Watanabe, Shunpei Nagase, Kikuko Kamisaka, Yoshio Okiyama, Hirotomo Moriwaki, Hitomi Yuki, Tomohiro Sato, Noriyuki Kurita, Yoichiro Yagi, Tatsuya Takagi, Norihito Kawashita, Kenichiro Takaba, Tomonaga Ozawa, Midori Takimoto-Kamimura, Shigenori Tanaka, Kaori Fukuzawa, Teruki Honma

J. Chem. Inf. Model., 2021

2017

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.

Chiduru Watanabe, Hirofumi Watanabe, Kaori Fukuzawa, Lorien J. Parker, Yoshio Okiyama, Hitomi Yuki, Shigeyuki Yokoyama, Hirofumi Nakano, Shigenori Tanaka, Teruki Honma

J. Chem. Inf. Model., December, 2017

2013

Prediction of Ligand-Induced Structural Polymorphism of Receptor Interaction Sites Using Machine Learning.

Daisuke Takaya, Tomohiro Sato, Hitomi Yuki, Shunta Sasaki, Akiko Tanaka, Shigeyuki Yokoyama, Teruki Honma

J. Chem. Inf. Model., 2013

2012

Application of Support Vector Machine to Three-Dimensional Shape-Based Virtual Screening Using Comprehensive Three-Dimensional Molecular Shape Overlay with Known Inhibitors.

Tomohiro Sato, Hitomi Yuki, Daisuke Takaya, Shunta Sasaki, Akiko Tanaka, Teruki Honma

J. Chem. Inf. Model., 2012

2010

Mechanism of the decrease in catalytic activity of human cytochrome P450 2C9 polymorphic variants investigated by computational analysis.

Eri Sano, Weihua Li, Hitomi Yuki, Xinli Liu, Tomomi Furihata, Kaoru Kobayashi, Kan Chiba, Saburo Neya, Tyuji Hoshino

J. Comput. Chem., 2010

2008

Prediction of Human Liver Microsomal Stability with Machine Learning.

Yojiro Sakiyama, Hitomi Yuki, Teruki Honma

Proceedings of the 2008 International Conference on Artificial Intelligence, 2008

2007

Implementation of pi-pi interactions in molecular dynamics simulation.

Hitomi Yuki, Yoshikazu Tanaka, Masayuki Hata, Hidenori Ishikawa, Saburo Neya, Tyuji Hoshino

J. Comput. Chem., 2007