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Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution., and . J. Comput. Chem., 29 (6): 871-882 (2008)A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions., and . J. Comput. Chem., 27 (4): 453-462 (2006)Placevent: An algorithm for prediction of explicit solvent atom distribution - Application to HIV-1 protease and F-ATP synthase., , and . J. Comput. Chem., 33 (18): 1536-1543 (2012)Calculation of solvation free energy using RISM theory for peptide in salt solution., , and . J. Comput. Chem., 19 (15): 1724-1735 (1998)Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis., and . J. Comput. Chem., 44 (10): 1031-1039 (2023)Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm., , and . J. Comput. Chem., 18 (10): 1320-1326 (1997)Molecular Theory of Solvation. Springer, Berlin, (2003)Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFT., , , , , and . J. Comput. Chem., 35 (18): 1347-1355 (2014)A Systematic Analysis of the Binding Affinity between the Pim-1 Kinase and Its Inhibitors Based on the MM/3D-RISM/KH Method., , , and . J. Chem. Inf. Model., 57 (11): 2789-2798 (November 2017)Implementation of a macromolecular mechanics program on a cyber 205 supercomputer., , , and . Comput. Chem., 10 (3): 165-173 (1986)