The 146th Annual Meeting of the Pharmaceutical Society of Japan (Osaka)
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Session Details

Poster Presentation(B) Pharmaceutical Physics

[27-59-pm1]Informatics, Computational chemistry 2

Fri. Mar 27, 2026 1:10 PM - 3:10 PM JST
Fri. Mar 27, 2026 4:10 AM - 6:10 AM UTC
Room 59 (4001, Bldg. 4, Area 4 [B1F]) (1)
Discusser: Norihito Kawashita, Takayuki Furuishi

[27-59-pm1-01]Fragment-based virtual screening for subunit interaction inhibitors of NPM1

○Shin-ichiro Ozawa1, Taiyo Kikuchi1, Rio Nagoya1, Natsumi Tamori1, Mitsuru Okuwaki1, Nobutada Tanaka1 (1. Sch. Pharm., Kitasato Univ.)

[27-59-pm1-02]Exploration of new SHMT2 inhibitors utilizing the in silico fragment-based virtual screening

○Izumi Nakagome1, Eiji Yui1, Noriyuki Yamaotsu1, Nobutada Tanaka1 (1. Sch. Pharm., Kitasato Univ.)

[27-59-pm1-03S]Estimation of the amino acid residues involved in substrate recognition of SARS-CoV-2 main protease based on virtual alanine scan

○Masakazu Niinomi1, Ayato Mizuno1, Tomoki Nakayoshi1,2, Koichi Kato1,3, Akifumi Oda1 (1. Fac. Pharm., Meijo Univ., 2. Inst. Adv. Res., Nagoya Univ., 3. Fac Pharm. Sci., Shonan Univ. Med. Sci.)

[27-59-pm1-04S]Improving antibody epitope prediction using the protein–protein interaction analysis method “VIINEC”: A study on the SARS-CoV-2 RBD–VHH antibody system

○Seita Kawakami1, Takeshi Ishikawa1 (1. Grad. Sch. Sci. and Eng., Kagoshima Univ.)

[27-59-pm1-05]Extraction of Structural Features Distinguishing True and False Complexes for Improving the Accuracy of in Silico Peptide Design

○Noriyuki Yamaotsu1, Tomoya Sakuyama1, Sakura Ota1, Honoka Sudo1, Sho Murata1, Nobutada Tanaka1 (1. Sch. Pharm., Kitasato Univ.)

[27-59-pm1-06S]Estimation of the Effects of the Reduction of Amino Acid Types on Three-Dimensional Structure of Protein Using Molecular Dynamics Simulation

○Kaito Kaneyama1, Ayato Mizuno1, Tomoki Nakayoshi1,2, Koichi Kato1,3, Akifumi Oda1 (1. Fac. Pharm., Meijo Univ., 2. Inst. Adv. Res., Nagoya Univ., 3. Fac. Pharm. Sci., Shonan Univ. Med. Sci.)

[27-59-pm1-07S]Application of the PPI analysis method “VIINEC” to antibody targeting fibrillar antigens: A case study of the amyloid-β/Lecanemab system

○Eiji Imamura1, Takeshi Ishikawa2 (1. Sch. Eng., Kagoshima Univ., 2. Grad. Sch. Sci. and Eng., Kagoshima Univ.)

[27-59-pm1-08S]Computational Study on the Malonic Acid-Catalyzed Mechanisms of Deamidation of Asparagine Residue Using Quantum Chemical Calculation

○Shin Yanagihara1, Ayato Mizuno1, Tomoki Nakayoshi1,2,3, Koichi Kato1,4, Akifumi Oda1 (1. Fac. Pharm., Meijo Univ., 2. Inst. Adv. Res., Nagoya Univ., 3. Grad. Sch. Inf. Sci., Hiroshima City Univ., 4. Fac. Pharm. Sci., Shonan Univ. Med. Sci.)

[27-59-pm1-09S]Prediction of the Three-Dimensional Structure of random RNA chains

○Yuina Yamauchi1, Ayato Mizuno1, Tomoki Nakayoshi1,2, Koichi Kato1,3, Akifumi Oda1 (1. Fac. Pharm., Meijo Univ., 2. Inst. Adv. Res., Nagoya Univ., 3. Fac. Pharm. Sci., Shonan Univ. Med. Sci.)

[27-59-pm1-10]A Benchmark Study on Docking Pose Reproducibility and Virtual Screening Performance of AutoDock Vina, MOE, and GNINA

○Yuki Hikimoto1, Sota Tanaka1, Shuhei Miyakawa1, Yu-Shi Tian1, Daisuke Takaya1, Kaori Fukuzawa1 (1. Grad. Sch. Pharm. Sci., The Univ. of Osaka)
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