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Academic Events » General Presentation

Water & Hydration & Electrolyte

Thu. Sep 29, 2022 4:30 PM - 7:00 PM Poster (Hakodate Arena Main Arena)

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4:30 PM - 5:30 PM

[2Pos123] MD simulations reveals hydration dynamics around protein model peptides

〇Takuya Takahashi¹, Ryutaro Inou², Yui Nakamura² (1.Coll. Life Sci., Ritsumeikan Univ., 2.Grad. Sch. Life Sci., Ritsumeikan Univ.)

5:30 PM - 6:30 PM

[2Pos124*] Effect of local electric field on the rotational dynamics of water dipole in protein solutions

〇Kang Hu^1,2, Ryo Shirakashi¹ (1.IIS, Univ. Tokyo, 2.Grad. Sch. Eng., Univ. Tokyo)

4:30 PM - 5:30 PM

[2Pos125] Prediction of hydration structures of membrane proteins using neural networks in combination with the empirical hydration distribution

〇Kochi Sato^1,2, Mao Oide^1,2, Masayoshi Nakasako^1,2 (1.Dept. Phys., Keio Univ., 2.RSC, RIKEN)

5:30 PM - 6:30 PM

[2Pos126] Free energy analysis of the addition of small molecules with simple structures to elucidate co-solvent effects in insulin dissociation

〇Simon Hikiri¹, Nobuyuki Matubayasi¹ (1.Grad. Sch. Eng. Sci., Osaka Univ.)

4:30 PM - 5:30 PM

[2Pos127*] Molecular simulation study of effective attraction between anions in an electrolyte solution for elucidation of acidic protein aggregation

〇Michika Takeda¹, Ryo Akiyama² (1.Grad. Sch. Sci. Kyushu Univ., 2.Inst. Sci. Kyushu Univ.)

5:30 PM - 6:30 PM

[2Pos128] Theoretical study on the electrostatic calculation in biomolecular simulation

〇Yoshiteru Yonetani¹ (1.QST)