Research field (6):
Bio-, chemical, and soft-matter physics
, Structural biochemistry
, Basic physical chemistry
, Molecular biochemistry
, Structural and functional materials
, Computational science
Research keywords (1):
molecular dynamics
Research theme for competitive and other funds (9):
2021 - 2025 1細胞計測に基づく細胞モデルとそれに基づく形態形成の理論の開発
2020 - 2023 Optimization of pretargeted alpha therapy for multiple types of cancer
2018 - 2023 Dynamics of protein-protein interface: Development of analysis methods based on machine learning and MD simulation
2016 - 2023 Theoretical elucidation of dynamical solvent effects in controling chemical reactions
2015 - 2020 Development of Molecular Dynamics Classification Theories for Life Science and Drug Design
2015 - 2020 Nonadiabatic Electron Dynamics in Chemistry of Charge Separation, Proton Transfer, Electron Transmission, and Huge Electronic-State Fluctuation
2016 - 2018 Linkage disequilibrium mapping using closely related species -Toward the identification of sex-determining gene in genus Seriola-
2013 - 2018 Dynamics of Molecular Pattern Recognition in Protein Interaction
Senjuti Nowroz, Syeda Rubaiya Nasrin, Arif Md Rashedul Kabir, Takefumi Yamashita, Tomoichiro Kusumoto, Junichi Taira, Marie Tani, Masatoshi Ichikawa, Kazuki Sada, Akira Kakugo. Role of tubulin C-terminal tail on mechanical properties of microtubule. Biochemical and biophysical research communications. 2024. 706. 149761-149761
Kazuhiro Miyanabe, Takefumi Yamashita, Kouhei Tsumoto. Thermodynamic and molecular dynamic insights into how fusion influences peptide-tag recognition of an antibody. Scientific reports. 2024. 14. 1. 8685-8685
Takefumi Yamashita. A molecular dynamics study on the PD-1-Nivolumab interaction: Roles of the N-terminal loop and N58-glycosylation of PD-1. AIP Conference Proceedings. 2024. 3030. 1
Naoyuki Shoji, Takefumi Yamashita. Tensile Stress Reduction and Strain Concentration of Epoxy Resin Caused by Heterogeneity: A Multiscale Approach Combining Molecular Dynamics Simulation and Finite Element Method. The journal of physical chemistry. B. 2023. 127. 42. 9066-9073
Molecular Dynamics Simulation for Biological and Material polymers
(International Congress on Pure & Applied Chemistry (ICPAC) 2022 2022)
A molecular dynamics study on the antigen-antibody interface: Toward rational antibody drug design
(2022)
Properties of the Protein-Protein Interface Revealed by Molecular dynamics Simulations
(18th International Conference of Computational Methods in Sciences and Engineering (QS symposium of ICCMSE 2022) 2022)