Hitomi Yuki - researchr alias

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Viewing Publication 1 - 6 from 6

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) ApproachChiduru Watanabe, Hirofumi Watanabe, Kaori Fukuzawa, Lorien J. Parker, Yoshio Okiyama, Hitomi Yuki, Shigeyuki Yokoyama, Hirofumi Nakano, Shigenori Tanaka, Teruki Honma. jcisd, 57(12):2996-3010, December 2017. [doi]

2013

Prediction of Ligand-Induced Structural Polymorphism of Receptor Interaction Sites Using Machine LearningDaisuke Takaya, Tomohiro Sato, Hitomi Yuki, Shunta Sasaki, Akiko Tanaka, Shigeyuki Yokoyama, Teruki Honma. jcisd, 53(3):704-716, 2013. [doi]

2012

Application of Support Vector Machine to Three-Dimensional Shape-Based Virtual Screening Using Comprehensive Three-Dimensional Molecular Shape Overlay with Known InhibitorsTomohiro Sato, Hitomi Yuki, Daisuke Takaya, Shunta Sasaki, Akiko Tanaka, Teruki Honma. jcisd, 52(4):1015-1026, 2012. [doi]

2010

Mechanism of the decrease in catalytic activity of human cytochrome P450 2C9 polymorphic variants investigated by computational analysisEri Sano, Weihua Li, Hitomi Yuki, Xinli Liu, Tomomi Furihata, Kaoru Kobayashi, Kan Chiba, Saburo Neya, Tyuji Hoshino. jcc, 31(15):2746-2758, 2010. [doi]

2007

Implementation of pi-pi interactions in molecular dynamics simulationHitomi Yuki, Yoshikazu Tanaka, Masayuki Hata, Hidenori Ishikawa, Saburo Neya, Tyuji Hoshino. jcc, 28(6):1091-1099, 2007. [doi]

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