검색결과 : 13건
| No. | Article |
|---|---|
| 1 |
Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: II. Protein and Its Ligand-Binding System Studies Okiyama Y, Watanable C, Fukuzawa K, Mochizuki Y, Nakano T, Tanaka S Journal of Physical Chemistry B, 123(5), 957, 2019 |
| 2 |
Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: Implementation and DNA Study Okiyama Y, Nakano T, Watanabe C, Fukuzawa K, Mochizuki Y, Tanaka S Journal of Physical Chemistry B, 122(16), 4457, 2018 |
| 3 |
Statistical correction to effective interactions in the fragment molecular orbital method Tanaka S, Watanabe C, Okiyama Y Chemical Physics Letters, 556, 272, 2013 |
| 4 |
Modeling of peptide-silica interaction based on four-body corrected fragment molecular orbital (FMO4) calculations Okiyama Y, Tsukamoto T, Watanabe C, Fukuzawa K, Tanaka S, Mochizuki Y Chemical Physics Letters, 566, 25, 2013 |
| 5 |
Development of the four-body corrected fragment molecular orbital (FMO4) method Nakano T, Mochizuki Y, Yamashita K, Watanabe C, Fukuzawa K, Segawa K, Okiyama Y, Tsukamoto T, Tanaka S Chemical Physics Letters, 523, 128, 2012 |
| 6 |
Fragment molecular orbital-based molecular dynamics (FMO-MD) method with MP2 gradient Mochizuki Y, Nakano T, Komeiji Y, Yamashita K, Okiyama Y, Yoshikawa H, Yamataka H Chemical Physics Letters, 504(1-3), 95, 2011 |
| 7 |
Counterpoise-corrected interaction energy analysis based on the fragment molecular orbital scheme Okiyama Y, Fukuzawa K, Yamada H, Mochizuki Y, Nakano T, Tanaka S Chemical Physics Letters, 509(1-3), 67, 2011 |
| 8 |
Fragment molecular orbital-based molecular dynamics (FMO-MD) simulations on hydrated Zn(II) ion Fujiwara T, Mochizuki Y, Komeiji Y, Okiyama Y, Mori H, Nakano T, Miyoshi E Chemical Physics Letters, 490(1-3), 41, 2010 |
| 9 |
Acceleration of fragment molecular orbital calculations with Cholesky decomposition approach Okiyama Y, Nakano T, Yamashita K, Mochizuki Y, Taguchi N, Tanaka S Chemical Physics Letters, 490(1-3), 84, 2010 |
| 10 |
Large-scale FMO-MP3 calculations on the surface proteins of influenza virus, hemagglutinin (HA) and neuraminidase (NA) Mochizuki Y, Yamashita K, Fukuzawa K, Takematsu K, Watanabe H, Taguchi N, Okiyama Y, Tsuboi M, Nakano T, Tanaka S Chemical Physics Letters, 493(4-6), 346, 2010 |