Hiroaki Tokiwa

发表

Protein Residue Networks from Energetic and Geometric Data: Are They Identical?

Vladimir Sladek, Hiroaki Tokiwa, Hitoshi Shimano, 2018, Journal of chemical theory and computation.

[Current trends of theoretical and medicinal chemistry. Foreword].

Hiroaki Tokiwa, 2011, Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan.

A graphical symmetric group approach for a spin adapted full configuration interaction: partitioning of a configuration graph into sets of closed-shell and open-shell graphs

Kiyoshi Tanaka, Hiroaki Tokiwa, Yuji Mochizuki, 2007 .

Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations.

Takeshi Ishikawa, Vladimir Sladek, Hiroaki Tokiwa, 2018, Journal of chemical information and modeling.

Practical Usages Of 3D-printer for Scientific Education of Chemistry and Biology

Masaru Kawakami, Hiroaki Tokiwa, Yasuyuki Yamada, 2016 .

Application of fragment molecular orbital scheme to silicon-containing systems

Kiyoshi Tanaka, Takeshi Ishikawa, Hiroaki Tokiwa, 2006 .

Interactions between 1α,25(OH)2D3 and residues in the ligand-binding pocket of the vitamin D receptor: A correlated fragment molecular orbital study

Hiroaki Tokiwa, Makoto Makishima, Kenji Yamagishi, 2010, The Journal of Steroid Biochemistry and Molecular Biology.

Theoretical study of intramolecular interaction energies during dynamics simulations of oligopeptides by the fragment molecular orbital-Hamiltonian algorithm method.

Hiroaki Tokiwa, Umpei Nagashima, Hiroyuki Teramae, 2005, The Journal of chemical physics.

Functions of key residues in the ligand-binding pocket of vitamin D receptor: Fragment molecular orbital interfragment interaction energy analysis

Hiroaki Tokiwa, Kenji Yamagishi, Keiko Yamamoto, 2006 .

Frontier Simulation Software for Industrial Science

Chisachi Kato, Makoto Tsubokura, Hiroaki Tokiwa, 2006 .

Geometric isotope effect of various intermolecular and intramolecular C-H...O hydrogen bonds, using the multicomponent molecular orbital method.

Hiroaki Tokiwa, Umpei Nagashima, Masanori Tachikawa, 2006, The journal of physical chemistry. A.

Flexible ligand recognition of peroxisome proliferator-activated receptor-gamma (PPARgamma).

Hiroaki Tokiwa, Yuji Mochizuki, Tatsuya Nakano, 2010, Bioorganic & medicinal chemistry letters.

Fragment molecular orbital calculations on large scale systems containing heavy metal atom

Takeshi Ishikawa, Hiroaki Tokiwa, Hirotoshi Mori, 2006 .