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)

[PS2-57] Molecular Dynamics Simulations of Computationally Predicted Protein-Ligand Complex Structures to Evaluate the Structural Validity

Koichi Kato1,2,3, Tomoki Nakayoshi1,4, Yuna Moritsuki1, Saki Makino1, Eiji Kurimoto1, *Akifumi Oda1,5 (1. Meijo Univ. (Japan), 2. Shonan Univ. Med. Sci. (Japan), 3. Kinjo Gakuin Univ. (Japan), 4. Hiroshima City Univ. (Japan), 5. Osaka Univ. (Japan))

Keywords:Protein-ligand docking, Molecular dynamics simulation, in silico drug design

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