A Novel Method for Characterization of Three-Dimensional Reaction Fields Based on Electrostatic and Steric Interactions toward the Goal of Quantitative Analysis and Understanding of Organic Reactions. - Hiroko Satoh; Sachiko Itono; Kimito Funatsu; Keiko Takano; Tadashi Nakata (J. Chem. Inf. Comput. Sci., 1999)

Substrate Recognition by Enzymes: a Theoretical Study. - Kaori Ueno-Noto; Keiko Takano; Miki Hara-Yokoyama (CSB, 2003)

Recognition of tandem sialic acid residues by CD38: A theoretical study. - Kaori Ueno-Noto; Miki Hara-Yokoyama; Keiko Takano (J. Comput. Chem., 2006)

Affinity of HIV-1 antibody 2G12 with monosaccharides: A theoretical study based on explicit and implicit water models. - Yuka Koyama; Kaori Ueno-Noto; Keiko Takano (Comput. Biol. Chem., 2014)

Water molecules inside protein structure affect binding of monosaccharides with HIV-1 antibody 2G12. - Kaori Ueno-Noto; Keiko Takano (J. Comput. Chem., 2016)

Systematic Interaction Analysis of Anti-Human Immunodeficiency Virus Type-1 Neutralizing Antibodies with High Mannose Glycans Using Fragment Molecular Orbital and Molecular Dynamics Methods. - Miyu Kusumoto; Kaori Ueno-Noto; Keiko Takano (J. Comput. Chem., 2020)