E-LIB Suche - Ergebnisse für: Tanida, Yoshiaki

1

Alchemical free energy calculations via metadynamics: Appli..:

Tanida, Yoshiaki ; Matsuura, Azuma
Journal of Computational Chemistry. 41 (2020) 20 - p. 1804-1819 , 2020

Link: https://doi.org/10.1002/..

2

Comparison of binding affinity evaluations for FKBP ligands..:

Watanabe, Hirofumi ; Tanaka, Shigenori ; Okimoto, Noriaki...
Chem-Bio Informatics Journal. 10 (2010) - p. 32-45 , 2010

Link: https://doi.org/10.1273/..

3

Docking study and binding free energy calculation of poly (..:

Ohno, Kazuki ; Mitsui, Takashi ; Tanida, Yoshiaki...
Journal of Molecular Modeling. 17 (2010) 2 - p. 383-389 , 2010

Link: https://doi.org/10.1007/..

4

High-Level ab Initio Calculations To Improve Protein Backbo..:

Fujitani, Hideaki ; Matsuura, Azuma ; Sakai, Sino..
Journal of Chemical Theory and Computation. 5 (2009) 4 - p. 1155-1165 , 2009

Link: https://doi.org/10.1021/..

5

Massively parallel computation of absolute binding free ene..:

Fujitani, Hideaki ; Tanida, Yoshiaki ; Matsuura, Azuma
Physical Review E. 79 (2009) 2 - p. , 2009

Link: https://doi.org/10.1103/..

6

Calculation of absolute free energy of binding for theophyl..:

Tanida, Yoshiaki ; Ito, Masakatsu ; Fujitani, Hideaki
Chemical Physics. 337 (2007) 1-3 - p. 135-143 , 2007

Link: https://doi.org/10.1016/..

7

Metal-induced gap states in epitaxial organic-insulator/met..:

Kiguchi, Manabu ; Arita, Ryotaro ; Yoshikawa, Genki...
Physical Review B. 72 (2005) 7 - p. , 2005

Link: https://doi.org/10.1103/..

8

Direct calculation of the binding free energies of FKBP lig..:

Fujitani, Hideaki ; Tanida, Yoshiaki ; Ito, Masakatsu...
The Journal of Chemical Physics. 123 (2005) 8 - p. , 2005

Link: https://doi.org/10.1063/..

9

Polar surface engineering in ultrathinMgO(111)∕Ag(111): Pos..:

Arita, Ryotaro ; Tanida, Yoshiaki ; Entani, Shiro...
Physical Review B. 69 (2004) 23 - p. , 2004

Link: https://doi.org/10.1103/..

10

Electronic properties of metal-induced gap states at insula..:

Arita, Ryotaro ; Tanida, Yoshiaki ; Kuroki, Kazuhiko.
Physical Review B. 69 (2004) 11 - p. , 2004

Link: https://doi.org/10.1103/..

11

Metal-Induced Gap States at Well Defined Alkali-Halide/Meta..:

Kiguchi, Manabu ; Arita, Ryotaro ; Yoshikawa, Genki...
Physical Review Letters. 90 (2003) 19 - p. , 2003

Link: https://doi.org/10.1103/..

12

Binding and diffusion of an al adatom on the hydrogen-termi..:

Tanida, Yoshiaki ; Ikeda, Minoru
Materials Science and Engineering: B. 37 (1996) 1-3 - p. 131-134 , 1996

Link: https://doi.org/10.1016/..

13

Fine Adjustment Based on Model for X-Ray Absorption Fine St..:

Yoshiaki Tanida, Yoshiaki Tanida ; Satoshi Komiya, Satoshi Komiya
Japanese Journal of Applied Physics. 31 (1992) 8R - p. 2532 , 1992

Link: https://doi.org/10.1143/..

14

Calculation of absolute free energy of binding for theophyl..:

Tanida, Yoshiaki ; Ito, Masakatsu ; Fujitani, Hideaki
http://arxiv.org/abs/0708.0698. , 2007

Link: http://arxiv.org/abs/070..

15

Polar surface engineering in ultra-thin MgO(111)/Ag(111) --..:

Arita, Ryotaro ; Tanida, Yoshiaki ; Entani, Shiro...
http://arxiv.org/abs/cond-mat/0401051. , 2004

Link: http://arxiv.org/abs/con..