Computational predictions of the effects of a single amino-acid mutations on the structure of CYP2A6-coumarin complex using molecular dynamics simulations

○Tomoki Nakayoshi

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Poster Presentation

(B) Pharmaceutical Physics

[27P1-am1] Photochemistry, plasma chemistry, laser chemistry/Physical measurement/Informatics, in silico chemistry (computational chemistry)

Mon. Mar 27, 2023 10:00 AM - 11:40 AM [Room P1] Gymnasium (1F)

[27P1-am1-028] Computational predictions of the effects of a single amino-acid mutations on the structure of CYP2A6-coumarin complex using molecular dynamics simulations

○Tomoki Nakayoshi^1,2, Koichi Kato^2,3, Rika Nokura², Eiji Kurimoto², Masahiro Hiratsuka⁴, Yu Takano¹, Akifumi Oda² (1. Grad. Sch. Inf. Sci., Hiroshima City Univ., 2. Fac. Pharm., Meijo Univ., 3. Fac. Pharm. Sci., Shonan Univ. Med. Sci., 4. Grad. Sch. Pharm., Tohoku Univ.)

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Presentation information

[27P1-am1] Photochemistry, plasma chemistry, laser chemistry/Physical measurement/Informatics, in silico chemistry (computational chemistry)

[27P1-am1-028] Computational predictions of the effects of a single amino-acid mutations on the structure of CYP2A6-coumarin complex using molecular dynamics simulations

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