PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound Transformations. - Kairi Furui; Takafumi Shimizu; Yutaka Akiyama; S. Roy Kimura; Yoh Terada; Masahito Ohue (J. Chem. Inf. Model., 2025)

ModBind, a Rapid Simulation-Based Predictor of Ligand Binding and Off-Rates. - William Sinko; Blake Mertz; Takafumi Shimizu; Taisuke Takahashi; Yoh Terada; S. Roy Kimura (J. Chem. Inf. Model., 2025)