A highly efficient hybrid method for calculating the hydration free energy of a protein. - Hiraku Oshima; Masahiro Kinoshita (J. Comput. Chem., 2016)

De Novo Prediction of Binders and Nonbinders for T4 Lysozyme by gREST Simulations. - Ai Niitsu; Suyong Re; Hiraku Oshima; Motoshi Kamiya; Yuji Sugita (J. Chem. Inf. Model., 2019)

Prediction of Protein-Ligand Binding Pose and Affinity Using the gREST+FEP Method. - Hiraku Oshima; Suyong Re; Yuji Sugita (J. Chem. Inf. Model., 2020)

Modified Hamiltonian in FEP Calculations for Reducing the Computational Cost of Electrostatic Interactions. - Hiraku Oshima; Yuji Sugita (J. Chem. Inf. Model., 2022)