| Placevent: An algorithm for prediction of explicit solvent atom distribution—Application to HIV‐1 protease and F‐ATP synthase DJ Sindhikara, N Yoshida, F Hirata Journal of computational chemistry 33 (18), 1536-1543, 2012 | 159 | 2012 |
| Molecular recognition in biomolecules studied by statistical-mechanical integral-equation theory of liquids N Yoshida, T Imai, S Phongphanphanee, A Kovalenko, F Hirata The Journal of Physical Chemistry B 113 (4), 873-886, 2009 | 139 | 2009 |
| Selective ion-binding by protein probed with the 3D-RISM theory N Yoshida, S Phongphanphanee, Y Maruyama, T Imai, F Hirata Journal of the American Chemical Society 128 (37), 12042-12043, 2006 | 127 | 2006 |
| A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions N Yoshida, F Hirata Journal of computational chemistry 27 (4), 453-462, 2006 | 73 | 2006 |
| Theoretical study of CO escaping pathway in myoglobin with the 3D-RISM theory Y Kiyota, R Hiraoka, N Yoshida, Y Maruyama, T Imai, F Hirata Journal of the American Chemical Society 131 (11), 3852-3853, 2009 | 67 | 2009 |
| On the proton exclusion of aquaporins: a statistical mechanics study S Phongphanphanee, N Yoshida, F Hirata Journal of the American Chemical Society 130 (5), 1540-1541, 2008 | 66 | 2008 |
| Proton transport through the influenza A M2 channel: three-dimensional reference interaction site model study S Phongphanphanee, T Rungrotmongkol, N Yoshida, S Hannongbua, ... Journal of the American Chemical Society 132 (28), 9782-9788, 2010 | 60 | 2010 |
| Selective ion binding by protein probed with the statistical mechanical integral equation theory N Yoshida, S Phongphanphanee, F Hirata The Journal of Physical Chemistry B 111 (17), 4588-4595, 2007 | 59 | 2007 |
| A new approach for investigating the molecular recognition of protein: toward structure-based drug design based on the 3D-RISM theory Y Kiyota, N Yoshida, F Hirata Journal of Chemical Theory and Computation 7 (11), 3803-3815, 2011 | 51 | 2011 |
| Molecular Ornstein–Zernike approach to the solvent effects on solute electronic structures in solution N Yoshida, S Kato The Journal of Chemical Physics 113 (12), 4974-4984, 2000 | 46 | 2000 |
| The electronic-structure theory of a large-molecular system in solution: Application to the intercalation of proflavine with solvated DNA N Yoshida, Y Kiyota, F Hirata Journal of Molecular Liquids 159 (1), 83-92, 2011 | 41 | 2011 |
| A 3D‐RISM/RISM study of the oseltamivir binding efficiency with the wild‐type and resistance‐associated mutant forms of the viral influenza B neuraminidase J Phanich, T Rungrotmongkol, D Sindhikara, S Phongphanphanee, ... Protein Science 25 (1), 147-158, 2016 | 40 | 2016 |
| Massively parallel implementation of 3D‐RISM calculation with volumetric 3D‐FFT Y Maruyama, N Yoshida, H Tadano, D Takahashi, M Sato, F Hirata Journal of Computational Chemistry 35 (18), 1347-1355, 2014 | 36 | 2014 |
| Role of solvation in drug design as revealed by the statistical mechanics integral equation theory of liquids N Yoshida Journal of Chemical Information and Modeling 57 (11), 2646-2656, 2017 | 33 | 2017 |
| Revisiting the salt-induced conformational change of DNA with 3D-RISM theory Y Maruyama, N Yoshida, F Hirata The journal of physical chemistry B 114 (19), 6464-6471, 2010 | 32 | 2010 |
| Molecular selectivity in aquaporin channels studied by the 3D-RISM theory S Phongphanphanee, N Yoshida, F Hirata The Journal of Physical Chemistry B 114 (23), 7967-7973, 2010 | 31 | 2010 |
| Theoretical study of temperature and solvent dependence of the free-energy surface of the intramolecular electron-transfer based on the RISM-SCF theory: application to the 1, 3 … N Yoshida, T Ishida, F Hirata The Journal of Physical Chemistry B 112 (2), 433-440, 2008 | 28 | 2008 |
| Efficient implementation of the three-dimensional reference interaction site model method in the fragment molecular orbital method N Yoshida The Journal of Chemical Physics 140 (21), 2014 | 25 | 2014 |
| Extended molecular Ornstein-Zernike integral equation for fully anisotropic solute molecules: Formulation in a rectangular coordinate system R Ishizuka, N Yoshida The Journal of Chemical Physics 139 (8), 2013 | 25 | 2013 |
| Effect of molecular orientational correlations on solvation free energy computed by reference interaction site model theory S Tanimoto, N Yoshida, T Yamaguchi, SL Ten-No, H Nakano Journal of Chemical Information and Modeling 59 (9), 3770-3781, 2019 | 24 | 2019 |
Haruyuki NakanoProfessor of Chemistry, Kyushu UniversityVerified email at chem.kyushu-univ.jp
