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International Journal of Biological Macromolecules|July 1, 2026
Guest molecule diffusion in the chitosan-ZnCl<sub>2</sub> complex crystal: A molecular dynamics simulation studyToshifumi Yui, Takuya UtoScientific Reports|January 27, 2025
Unbiased picture of the ligand docking process for the hevein protein-oligosaccharide complexToshifumi Yui, Takuya UtoACS Omega|August 29, 2019
DFT Optimization of Isolated Molecular Chain Sheet Models Constituting Native Cellulose Crystal StructuresTakuya Uto, Toshifumi YuiThe Journal of Physical Chemistry. B|July 23, 2014
Theoretical study of the structural stability of molecular chain sheet models of cellulose crystal allomorphsTakuya Uto, Sho Mawatari, Toshifumi YuiJournal of Chemical Information and Modeling|June 27, 2023
Extended Ensemble Molecular Dynamics Study of Ammonia-Cellulose I Complex Crystal Models: Free-Energy Landscape and Atomistic Pictures of Ammonia Diffusion in the Crystalline PhaseToshifumi Yui, Takuya Uto, Kotaro NodaThe Journal of Physical Chemistry. B|December 4, 2019
Molecular Dynamics Simulation of Cellulose I-Ethylenediamine Complex Crystal ModelsTakuya Uto, Meguru Minamizaki, Toshifumi YuiNanomaterials (Basel, Switzerland)|June 2, 2021
Molecular and Crystal Structure of a Chitosan-Zinc Chloride ComplexToshifumi Yui, Takuya Uto, Kozo OgawaThe Journal of Physical Chemistry. B|March 3, 2026
Free-Energy Changes of a Single Molecular Chain Peeling off from the Surface of the Native Cellulose Crystal Model in Various SolventsToshifumi Yui, Kenta Yonekura, Takuya UtoCarbohydrate Polymers|April 10, 2018
Molecular dynamics simulations of theoretical cellulose nanotube modelsTakuya Uto, Yuta Kodama, Tatsuhiko Miyata, et al.Carbohydrate Polymers|March 28, 2018
Double helix formation from non-natural amylose analog polysaccharidesToshifumi Yui, Takuya Uto, Takuya Nakauchida, et al.Pageof 5