| Poster No. | Title | First Author | Affiliation | |||
| Floor-2 | ||||||
| P01-01(F-2) | Elucidation of binding interactions between neurotrophin receptor TrkA domain 5 and its binding peptide | Maho Takahashi | Yokohama City Univ. | |||
| P01-02(F-2) | QAEmap: Validation of low-resolution protein crystal structures using deep learning | Hiroaki Hata | Mitsui Knowledge Industry Co., LTD | |||
| P01-03(F-2) | Interaction analysis of cyclic artificial ion channel AmFF | Mayuko Nakagawa | Yokohama City Univ. | |||
| P01-04(F-2) | Application of visualization of the interfacial electrostatic complementarity (VIINEC) to antibodies targeting PD-1/PD-L1 interaction | Hiroki Ozono | Department of Chemistry, Biotechnology, and Chemical Engineering, Graduate School of Science and Engineering, Kagoshima University | |||
| P01-05(F-2) | Advanced methods to predict conformers of cyclic peptides accurately by FRECCA | Sakiko Mori | Fujitsu Ltd | |||
| P01-06(F-2) | Comparison of molecular dynamics of cyclosporin A and cyclosporin E | Akari Ito | Graduate School of Medical Life Science, Yokohama City University | |||
| P01-07(F-2) | Dynamics of Orexin2 Receptor and G-protein Complex with Molecular Dynamics Simulations | Shun Yokoi | Department of Physics, School of Science and Technology, Meiji University | |||
| P01-08(F-2) | Transport simulation of human LAT1-CD98hc complex | Natsumi Yoshida | Dept. of Med. Life Sci., Yokohama City Univ. | |||
| P01-09(F-2) | Activation Pathway of IL-2-inducible T cell kinase Explored by Tree-Search Molecular Dynamics | Yukina Nakai | Yokohama City University | |||
| Floor-3 | ||||||
| P01-10(F-3) | Molecular dynamics simulations of GABAA receptor and general anesthetics | Shuya Nakata | Graduate School of System Informatics, Kobe University | |||
| P01-11(F-3) | Free energy analysis of co-solvent effect on insulin dimer dissociation | Simon Hikiri | Graduate School of Engineering Science Osaka University | |||
| P01-12(F-3) | MDContactCom: A tool to identify differences of protein molecular dynamics from two MD simulation trajectories in terms of residue-residue contacts | Chie Motono | Cellular and Molecular Biotechnology Research Institute, National Institute of Advanced Industrial Science and Technology (AIST) | |||
| P01-13(F-3) | Molecular Dynamics Simulations of DNA Exonuclease | Hiroki Otaki | Nagasaki University | |||
| P02-01(F-3) | Insight into Allosteric ERK2 Inhibitors by using Fragment Molecular Orbital Method | Hajime Sugiyama | Mitsubishi Chemical Corporation | |||
| P02-02(F-3) | Dynamic Residue Interaction Network Analysis of Secondary Mutations in Protease that Promote Drug Resistance in HIV-1 | Ayaka Ojima | Chiba Institute of Technology | |||
| P02-03(F-3) | Dynamic Residue Interaction Network Analysis of Primary Mutations in Protease that Promote Drug Resistancein HIV-1 | Ryoga Miyawaki | Chiba Institute of Technology | |||
| P02-04(F-3) | Study of the Binding Mechanism of Inhibitor to InterLeukin-2 by Free Energy Calculations | Noritaka Inoue | Schrödinger KK | |||
| P02-05(F-3) | Dynamic FMO analysis for RNA sequence specificity in inhibitor recognition of translation initiation factor complex | Yuma Handa | School of Pharmacy and Pharmaceutical Sciences, Hoshi University | |||
| Floor-4 | ||||||
| P03-01(F-4) | Development of in silico prediction method for idiosyncratic drug-induced liver injury | Saki Katayama | Graduate School of Pharmaceutical Sciences, Nagoya City University | |||
| P03-02(F-4) | Machine Learning-based Evaluation of Microscopic Images of Fukushima Patient-derived organoids | Kosuke Takagi | Core Tech and Strategy Olympus Corporation | |||
| P03-03(F-4) | A customizable benchmark dataset for evaluation of structure-based protein-ligand binding prediction | Xiaoyao Zhang | Department of Computer Science, School of Computing, Tokyo Institute of Technology | |||
| P03-04(F-4) | Design and Implementation of New Methods for Odor Molecule Generation | Sijie Zhang | School of Computing, Tokyo Institute of Technology | |||
| P03-05(F-4) | Improvement of Variational Auto-Encoder Design of Organic Molecules by Discriminator | Kyosuke Sato | Graduate School of Natural Science and Technology, Okayama University | |||
| P03-06(F-4) | Appropriate Evaluation Measurements for Regression Models | Tsuyoshi Esaki | Shiga University | |||
| P03-07(F-4) | Effect of integrating HTS prediction outputs on ability of fingerprints to describe biological properties of chemicals | Shumpei Nemoto | The University of Tokyo | |||
| P03-08(F-4) | Development of a Prediction Method for Protein Cryptic Sites Using Machine Learning | Masahito Kumada | the University of Tokyo | |||
| P11-01(F-4) | Gentamicin-induced hearing loss: a toxicological study using drug−gene network analysis | Mizuki Tanaka | Laboratory of Drug Informatics, Gifu Pharmaceutical University | |||
| Floor-5 | ||||||
| P04-01(F-5) | Rational Elucidation of Weak Interaction in Protein, A Model Study Utilized Copper Protein | Takamitsu Kohzuma | Ibaraki University | |||
| P04-02(F-5) | Development of Machine-learning based Prediction model for hERG inhibitory activities by chemical compounds | Kazuaki Ishihara | Yokohama University of Pharmacy | |||
| P04-03(F-5) | Analyzing Deep Neural Networks on Molecular Activity Prediction and Characteristics of the Created Network | Yoshiki Kato | Toyohashi Univ. of Tech. | |||
| P06-01(F-5) | Development of Biologically Interpretable Prediction Models for Drug-Induced Liver Malignant Tumors Based on the Activity of Molecular Initiating Events Using FAERS: a Self-Reported Adverse Drug Events Database | Kota Kurosaki | Department of Medical Molecular Informatics, Meiji Pharmaceutical University | |||
| P05-01(F-5) | Molecular basis of allosteric ERK2 inhibitors discovered by in silico screening | Mayu Yoshida | Osaka Prefecture University | |||
| P05-02(F-5) | Development of FMODB and recent updates, 2021 | Daisuke Takaya | RIKEN Center for Biosystems Dynamics Research | |||
| P05-03(F-5) | Visualization of Antigen Binding on DNA Origami Using Atomic Force Microscopy | Yuki Minamide | Department of Chemistry and Material Engineering Kansai University | |||
| P12-01(F-5) | Degradation of DNA ribbons with complementary annihilation | Hiroki Sawada | Department of Robotics, Graduate School of Engineering, Tohoku University | |||
| Floor-6 | ||||||
| P07-01(F-6) | A gene set analysis method based on network summary values | Takashi Yoneya | Kyowa Kirin Co., Ltd. | |||
| P07-02(F-6) | Comparison of gene co-expression inference methods based on biological validity and diversity | Iori Azuma | Laboratory of Molecular Pharmacokinetics, Graduate School of Pharmaceutical Sciences, The University of Tokyo | |||
| P07-03(F-6) | Analysis and visualization of single-cell RNA sequencing data by Partek Flow | Naofumi Seira | MOLSIS Inc. | |||
| P07-04(F-6) | Predicting phase separation protein and its experimental condition using machine learning | Ka Yin Chin | Graduate School of Medical Life Science, Yokohama City University | |||
| P08-01(F-6) | Dynamical FMO Interaction Analysis of SARS-CoV-2 RNA dependent RNA polymerase and Remdesivir | Shuhei Miyakawa | Hoshi Univ. | |||
| P09-01(F-6) | infiniSee - Similarity Searching in Ultra Large Chemical Spaces | Takashi Ikegami | MOLSIS Inc. | |||
| P09-02(F-6) | Development of SSDB Software Considering Empirical Scores with Hydrophobic Heteromeric Interactions to Reproduce the ChEMBL Database | Akihiro Masuda | Department of Biological Sciences, Graduate School of Science and Engineering, Chuo University | |||
| P09-03(F-6) | Identification of bitter-related compounds against hT2R14 by structure-based virtual screening | Kohei Kuriki | Kyushu Institute of Technology | |||
| P09-04(F-6) | A computational study for the development of anti-prion compounds using the docking simulation | Daisuke Arimura | Department of Chemistry, Biotechnology, and Chemical Engineering, Graduate School of Science and Engineering, Kagoshima University | |||
| Floor-7 | ||||||
| P09-05(F-7) | Evaluation of Estrogen Receptor-Ligand Binding Properties Using Dynamical FMO Analysis | Arisa Komiya | Hoshi University | P09-06(F-7) | Interaction Analysis of GPCR in the Presence of Lipid Bilayer Using Fragment Molecular Orbital (FMO) Method | Taro Imahiro | Hoshi University |
| P09-07(F-7) | Evaluation of binding property of nitrocatechol inhibitors with COMT by the fragment molecular orbital method | Satoko Shirai | Hoshi Univ. | |||
| P09-08(F-7) | Inhibitor discovery targeting UHRF1 by MD simulations and biochemical analyses | Yuki Shibahashi | Graduate School of Medical Life Science, Yokohama City University | |||
| P09-09(F-7) | Rational design of a helical peptide inhibitor targeting c-Myb–KIX interaction | Shunji Suetaka | Department of Life Sciences, Graduate School of Arts and Sciences, The University of Tokyo | |||
| P09-10(F-7) | PPAR subtype-dependent ligand binding investigated by docking simulation study | Yuka Yamashita | Grad. Sch. of Sci. & Tech., Shinshu Univ. | |||
| P13-01(F-7) | In silico-guided design of growth factor mutants with varied physicochemical parameters | Yuga Okada | The University of Tokyo | |||
| P13-02(F-7) | Application of Scilligence Software for Peptide Drug Discovery | Yasuhiro Shinozaki | MOLSIS Inc. | |||