| 1 |
Computational Screening of a Functional Cyclodextrin Derivative for Suppressing a Side Effect of Doxorubicin
Sugita M, Kuwano I, Higashi T, Motoyama K, Arima H, Hirata F
Journal of Physical Chemistry B, 125(9), 2308, 2021 |
| 2 |
Predicting the Binding Mode of 2-Hydroxypropyl-beta-cyclodextrin to Cholesterol by Means of the MD Simulation and the 3D-RISM-KH Theory
Hayashino Y, Sugita M, Arima H, Irie T, Kikuchi T, Hirata F
Journal of Physical Chemistry B, 122(21), 5716, 2018 |
| 3 |
Role of Mg2+ Ions in DNA Hydrolysis by EcoRV, Studied by the 3D-Reference Interaction Site Model and Molecular Dynamics
Onishi I, Sunaba S, Yoshida N, Hirata F, Irisa M
Journal of Physical Chemistry B, 122(39), 9061, 2018 |
| 4 |
Analysis of Biomolecular Solvation Sites by 3D-RISM Theory
Sindhikara DJ, Hirata F
Journal of Physical Chemistry B, 117(22), 6718, 2013 |
| 5 |
Theoretical Study of Salt Effects on the Diels-Alder Reaction of Cyclopentadiene with Methyl Vinyl Ketone Using RISM-SCF Theory
Yoshida N, Tanaka H, Hirata F
Journal of Physical Chemistry B, 117(45), 14115, 2013 |
| 6 |
Solvent and Salt Effects on Structural Stability of Human Telomere
Maruyama Y, Matsushita T, Ueoka R, Hirata F
Journal of Physical Chemistry B, 115(10), 2408, 2011 |
| 7 |
Functionality Mapping on Internal Surfaces of Multidrug Transporter AcrB Based on Molecular Theory of Solvation: Implications for Drug Efflux Pathway
Imai T, Miyashita N, Sugita Y, Kovalenko A, Hirata F, Kideras A
Journal of Physical Chemistry B, 115(25), 8288, 2011 |
| 8 |
Reply to "Comment on'Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory'"
Phongphanphanee S, Yoshida N, Hirata F
Journal of Physical Chemistry B, 115(25), 8367, 2011 |
| 9 |
Systematic Docking Study of the Carbohydrate Binding Module Protein of Cel7A with the Cellulose I alpha Crystal Model
Yui T, Shiiba H, Tsutsumi Y, Hayashi S, Miyata T, Hirata F
Journal of Physical Chemistry B, 114(1), 49, 2010 |
| 10 |
Revisiting the Salt-Induced Conformational Change of DNA with 3D-RISM Theory
Maruyama Y, Yoshida N, Hirata F
Journal of Physical Chemistry B, 114(19), 6464, 2010 |
