General Framework of Pressure Effects on Structures Formed by Entropically Driven Self-Assembly. - Takashi Yoshidome (Entropy, 2010)

Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures. - Takashi Yoshidome; Mitsunori Ikeguchi; Masateru Ohta (J. Comput. Chem., 2020)

gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins. - Kosuke Kawama; Yusaku Fukushima; Mitsunori Ikeguchi; Masateru Ohta; Takashi Yoshidome (J. Chem. Inf. Model., 2022)

Four-dimensional imaging for cryo-electron microscopy experiments using molecular simulations and manifold learning. - Takashi Yoshidome (J. Comput. Chem., 2023)