| 1 |
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 |
| 2 |
Majorana quantization and half-integer thermal quantum Hall effect in a Kitaev spin liquid
Kasahara Y, Ohnishi T, Mizukami Y, Tanaka O, Ma SX, Sugii K, Kurita N, Tanaka H, Nasu J, Motome Y, Shibauchi T, Matsuda Y
Nature, 559(7713), 227, 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 |
Specific interactions between amyloid-beta peptide and curcumin derivatives: Ab initio molecular simulations
Ishimura H, Kadoya R, Suzuki T, Murakawa T, Shulga S, Kurita N
Chemical Physics Letters, 633, 139, 2015 |
| 6 |
Difference in dimer conformation between amyloid-beta(1-42) and (1-43) proteins: Replica exchange molecular dynamics simulations in water
Yano A, Okamoto A, Nomura K, Higai S, Kurita N
Chemical Physics Letters, 595, 242, 2014 |
| 7 |
Structures and electronic properties of metal organic frameworks: DFT and ab initio FMO calculations for model systems
Sugimoto T, Mizushima T, Okamoto A, Kurita N
Chemical Physics Letters, 612, 295, 2014 |
| 8 |
Stable conformation of full-length amyloid-beta (1-42) monomer in water: Replica exchange molecular dynamics and ab initio molecular orbital simulations
Okamoto A, Yano A, Nomura K, Higai S, Kurita N
Chemical Physics Letters, 577, 131, 2013 |
| 9 |
A combined Green's function/density-functional theory study of electrical conducting properties of solvated single molecules tethered to Au electrodes
Hoshiba Y, Maeda Y, Hamada K, Fukuoka S, Ishikawa Y, Kurita N
Chemical Physics Letters, 521, 39, 2012 |
| 10 |
Ab initio molecular simulations on specific interactions between amyloid beta and monosaccharides
Nomura K, Okamoto A, Yano A, Higai S, Kondo T, Kamba S, Kurita N
Chemical Physics Letters, 547, 89, 2012 |
