| 1 |
Molecular association model of PPAR alpha and its new specific and efficient ligand, pemafibrate: Structural basis for SPPARM alpha
Yamamoto Y, Takei K, Arulmozhiraja S, Sladek V, Matsuo N, Han SI, Matsuzaka T, Sekiya M, Tokiwa T, Shoji M, Shigeta Y, Nakagawa Y, Tokiwa H, Shimano H
Biochemical and Biophysical Research Communications, 499(2), 239, 2018 |
| 2 |
Specific interactions between mycobacterial FtsZ protein and curcumin derivatives: Molecular docking and ab initio molecular simulations
Fujimori M, Sogawa H, Ota S, Karpov P, Shulga S, Blume Y, Kurita N
Chemical Physics Letters, 692, 166, 2018 |
| 3 |
Specific interactions between amyloid-p peptides in an amyloid-beta hexamer with three-fold symmetry: Ab initio fragment molecular orbital calculations in water
Ishimura H, Tomioka S, Kadoya R, Shimamura K, Okamoto A, Shulga S, Kurita N
Chemical Physics Letters, 672, 13, 2017 |
| 4 |
Proposal for novel curcumin derivatives as potent inhibitors against Alzheimer's disease: Ab initio molecular simulations on the specific interactions between amyloid-beta peptide and curcumin
Ota S, Fujimori M, Ishimura H, Shulga S, Kurita N
Chemical Physics Letters, 685, 482, 2017 |
| 5 |
Computational design of a sulfoglucuronide derivative fitting into a hydrophobic pocket of dengue virus E protein
Abe T, Sando A, Teraoka F, Otsubo T, Morita K, Tokiwa H, Ikeda K, Suzuki T, Hidari KIPJ
Biochemical and Biophysical Research Communications, 449(1), 32, 2014 |
| 6 |
Ab initio study of molecular interactions in higher plant and Galdieria partita Rubiscos with the fragment molecular orbital method
Watanabe H, Enomoto T, Tanaka S
Biochemical and Biophysical Research Communications, 361(2), 367, 2007 |
