Takefumi Yamashita

Toward rational antibody design: recent advancements in molecular dynamics simulations.

Takefumi Yamashita, Takefumi Yamashita, 2018, International immunology.

Computationally Efficient Multiconfigurational Reactive Molecular Dynamics.

Yuxing Peng, Gregory A. Voth, Takefumi Yamashita, 2012, Journal of chemical theory and computation.

Efficiency strategy for peptide design: A comparative study on all-atom, coarse-grained, and machine learning approaches

Takefumi Yamashita, Ryo Okajima, Naoyuki Shoji, 2018 .

Modification and Validation of the DREIDING Force Field for Molecular Liquid Simulations (DREIDING-UT)

Kohei Sasaki, Takefumi Yamashita, K. Sasaki, 2021, J. Chem. Inf. Model..

Molecular dynamics analysis to evaluate docking pose prediction

Hideaki Fujitani, Takefumi Yamashita, H. Fujitani, 2016, Biophysics and physicobiology.

Insights into the mechanism of proton transport in cytochrome c oxidase.

Gregory A. Voth, Takefumi Yamashita, G. Voth, 2012, Journal of the American Chemical Society.