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., 2017)

Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7). - Ryo Hatada; Koji Okuwaki; Yuji Mochizuki; Yuma Handa; Kaori Fukuzawa; Yuto Komeiji; Yoshio Okiyama; Shigenori Tanaka (J. Chem. Inf. Model., 2020)

In silico modeling of PAX8-PPARγ fusion protein in thyroid carcinoma: influence of structural perturbation by fusion on ligand-binding affinity. - Kaori Sakaguchi; Yoshio Okiyama; Shigenori Tanaka (J. Comput. Aided Mol. Des., 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; et al. (J. Chem. Inf. Model., 2021)

FMOe: Preprocessing and Visualizing Package of the Fragment Molecular Orbital Method for Molecular Operating Environment and Its Applications in Covalent Ligand and Metalloprotein Analyses. - Hirotomo Moriwaki; Yusuke Kawashima; Chiduru Watanabe; Kikuko Kamisaka; Yoshio Okiyama; Kaori Fukuzawa; Teruki Honma (J. Chem. Inf. Model., 2024)