[[C]C302-4am1] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry | The 105th CSJ Annual Meeting

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Academic Program [Oral A]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry : Oral A

[[C]C302-4am1]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sat. Mar 29, 2025 9:00 AM - 9:50 AM JST
Sat. Mar 29, 2025 12:00 AM - 12:50 AM UTC

[C]C302(C302, Bldg. 2, Area 2 [3F])

9:00 AM - 9:10 AM JST(12:00 AM - 12:10 AM UTC)Japanese

[[C]C302-4am1-01]Analysis of the Conformations of α-Fluorinated Dipeptide using Quantum Chemical Calculations

○Hikaru Oshimo¹, Kanami Sugiyama², Genta Kojya³, Tomohiro Agou⁴, Hisanori Arakaki⁵, Riko Genka⁵, Satoru Arimitsu⁶, Hirofumi Sato^2,7, Masahiro Higashi⁸ (1. Faculty of Engineering, Kyoto University, 2. Graduate School of Engineering, Kyoto University, 3. University of the Ryukyus, Research Facility Center, 4. Graduate School of Science, University of Hyogo, 5. Graduate School of Engineering and Science, University of the Ryukyus, 6. Faculty of Science, University of the Ryukyus, 7. Fukui Institute for Fundamental Chemistry, Kyoto University, 8. Graduate School of Informatics, Nagoya University)

9:10 AM - 9:20 AM JST(12:10 AM - 12:20 AM UTC)Japanese

[[C]C302-4am1-02]Analysis of the Interaction Between Nanoplastics and the Neurodegenerative Disease-Related Protein α-Synuclein Using Molecular Dynamics Simulations

○Yuna Karube¹, Takaharu Mori¹ (1. Tokyo Univ. of Science)

9:20 AM - 9:30 AM JST(12:20 AM - 12:30 AM UTC)English

[[C]C302-4am1-03]Determinants of Binding Dynamics in the Effective Peptide Inhibitors

○Jelang Muhammad Dirgantara¹, Suyong Re¹, Kenji Mizuguchi² (1. National Institutes of Biomedical Innovation, Health and Nutrition, 2. Institute for Protein Research, Osaka University)

9:30 AM - 9:40 AM JST(12:30 AM - 12:40 AM UTC)Japanese

[[C]C302-4am1-04]Theoretical study of hydrogen absorption and diffusion into Pd and AgRh alloy nanoclusters

○Manaka Kimura¹, Koji Ando¹ (1. Tokyo Woman's Christian University)

9:40 AM - 9:50 AM JST(12:40 AM - 12:50 AM UTC)Japanese

[[C]C302-4am1-05]Theoretical Study of NH₃ Decomposition Process on GaN Surface.

○Kazuki Tsunoda¹, Kanami Sugiyama², Hirofumi Sato^2,3 (1. Faculty of Engineering, Kyoto Univ., 2. Graduate School of Engineering, Kyoto Univ., 3. Fukui Institute for Fundamental Chemistry, Kyoto Univ.)

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