Koji Ando

Department of Information and Sciences, Tokyo Woman's Christian University

Japanese

Recent Publications

  1. C. Okamoto and K. Ando, Molecular dynamics simulation analysis of structural dynamic cross correlation induced by odorant hydrogen-bonding in mouse eugenol olfactory receptor. Biophys. Physicobiol. 21, e210007 (2024). / arXiv / bioRxiv
  2. K. Ando, Potential energy surfaces for electron dynamics from a model of localized Gaussian wave packets with valence-bond spin-coupling: high-harmonic generation spectra from H and He atoms. Chem. Phys. 570, 111883 (2023). / arXiv
  3. K. Araki and K. Ando, Molecular Dynamics Simulation of the Interaction between Taste Receptor Proteins and their Ligands, J. Comp. Chem. Jpn.21, 94-95 (2022).
  4. H. Kitoh-Nishioka, R. Sato, Y. Shigeta, K. Ando, Linear Combination of Molecular Orbitals of Fragments (FMO-LCMO) Method: Its Application to Charge Transfer Studies. Recent Advances of the Fragment Molecular Orbital Method, 391-405 (2021).
  5. T. Joutsuka and K. Ando, Efficient Free-Energy Calculation of Proton Transfer by Constrained Density Functional Theory and Geometrically Restrained Molecular Dynamics Simulation, Chem. Lett. 50, 1325-1328 (2021).
  6. C. Okamoto and K. Ando, Molecular Dynamics Simulation and Binding Analysis of Olfactory Receptor Protein mOR-EG and Odorant Molecule Eugenol, J. Comp. Chem. Jpn.19, 161-163 (2020).
  7. T. Joutsuka and K. Ando, Constrained Density Functional Theory Molecular Dynamics Simulation of Deprotonation in Aqueous Silicic Acid, J. Phys. Chem. B 124, 8323-8330 (2020).
  8. H. Kitoh-Nishioka, Y. Shigeta, and K. Ando, Tunneling matrix element and tunneling pathways of protein electron transfer calculated with a fragmet molecular orbital method, J. Chem. Phys. 153, 104104 (2020).
  9. K. Ando, Single-electron quantum dynamics in high-harmonic generation spectrum from LiH molecule: analysis of potential energy surfaces for electrons constructed from a model of localized Gaussian wave packets with valence-bond spin-coupling, J. Chem. Phys. 152, 084306 (2020). / arXiv
  10. H. Kitoh-Nishioka and K. Ando, Calculation of Charge-Transfer Electronic Coupling with Nonempirically Tuned Range-Separated Density Functional, J. Phys. Chem. C 123, 11351-11361 (2019).
  11. A. Sakurai, K. Ando, and S. Ashihara, Ultrafast proton/deuteron dynamics in KTaO3 observed with infrared pump-probe spectroscopy: Toward understanding of proton conduction mechanism in solid oxides, J. Chem. Phys. 149, 104502 (2018).
  12. R. Sato, H. Kitoh-Nishioka, K. Ando, and T. Yamato, Electron Transfer Pathways of Cyclobutane Pyrimidine Dimer Photolyase Revisited, J. Phys. Chem. B 122, 6912-6921 (2018).
  13. K. Ando, Potential energy surfaces for electron dynamics modeled by floating and breathing Gaussian wave packets with valence-bond spin-coupling: An analysis of high-harmonic generation spectrum, J. Chem. Phys. 148, 094305 (2018). / arXiv
  14. K. Ando, Localized electron wave packet description of chemical bond and excitation: Floating and breathing Gaussian with valence-bond coupling, Computational and Theoretical Chemistry 1116, 159 (2017). / KURENAI / arXiv
  15. H. Kitoh-Nishioka and K. Ando, FMO3-LCMO study of electron transfer coupling matrix element and pathway: Application to hole transfer between two triptophanes through cis- and trans-polyproline-linker systems, J. Chem. Phys. 145, 114103 (2016). / KURENAI / arXiv
  16. K. Ando, A corpuscular picture of electrons in chemical bond, J. Chem. Phys. 144, 124109 (2016). / KURENAI / arXiv
  17. K. Hyeon-Deuk and K. Ando, Distinct structural and dynamical difference between supercooled and normal liquids of hydrogen molecules, Phys. Chem. Chem. Phys. 18, 2314 (2016). / KURENAI
  18. K. Hyeon-Deuk and K. Ando, Dynamical and structural analyses of solid hydrogen under vapor pressure, J. Chem. Phys. 143, 171102 (2015). / KURENAI
  19. R. Sato, H. Kitoh-Nishioka, K. Ando, and T. Yamato, Computational study on the roles of amino acid residues in the active site formation mechanism of blu-light photoreceptors, Chem. Phys. Lett. 633, 247 (2015). / KURENAI

ORCiD

Misc.

E-mail: ando_k ＠ lab.twcu.ac.jp