34th IUPAP Conference on Computational Physics(CCP2023)

Presentation information

Poster

Poster

Poster 2

Mon. Aug 7, 2023 4:00 PM - 6:00 PM Reception Hall (3F)

[PS2-79] Proton conduction mechanism in water channels of ATP synthase studied by molecular dynamics simulation

*Yukinari Kamiyama1, Dan Parkin2, Junichi Ono2, Yoshifumi Nishimura2, Hiromi Nakai1,2, Mitsunori Takano1,2 (1. Grad. Sch. Adv. Sci. & Eng., Waseda Univ. (Japan), 2. Waseda Res. Inst. for Sci. & Eng. (Japan))

Keywords:proton dynamics, Grotthuss mechanism, ATP synthase, water channel, DC-DFTB-MD

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