CBI Annual Meeting 2022 <Program> |
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| <Japanese> （update: 2022.10.27） |
≫≫October 25 (Tue) ≫≫October 26 (Wed) ≫≫October 27 (Thu) |
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| Oct 25 Tue |
Time | 5F | 2F | ４F | ||||||||||||||||||||||||||||||||||||
| Big Hall | Small Hall | Togen(140) | Fukuju(140) | Heian(140) | Zuiun(140) | Training Room(84) | 401(63) | 403(30) | 407(36) | |||||||||||||||||||||||||||||||
| 10:00-10:10 | <Opening Remarks> |
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| 10:10-10:30 | Conference Chairperson
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| 10:30-12:00 | <Plenary Lecture> "Life science in COVID-19 society" Chair: Tsuneaki Sakata (Osaka University)
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| 12:00-13:30 | <Luncheon Seminar> LS-01 Elix, Inc. Shinya Yuki (Elix, Inc.) Sonomi Hato (Elix, Inc.) Takahiro Inoue (Elix, Inc.) |
<Luncheon Seminar> LS-02 Dotmatics Zsolt Lepp(Dotmatics) Takashi Fukuyama(Dotmatics) |
<Luncheon Seminar> LS-03 MOLSIS Inc. "Utilization of MOE for Various Therapeutic Modality Research" ・Modeling PROTAC-mediated Ternary Complexes ・Applications for Antibody Modeling and Developability Assessment ・Nucleic Acid Modeling |
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| 13:30-15:00 | <Invited Talk> "New generation therapy in the modern era" Chair: Hiroyuki Kobayashi (SHIONOGI & CO., LTD.)
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<Sponsored Session> SS-01 Quantinuum K.K. |
<Symposium> SP-01 Japan Agency for Medical Research and Development(AMED) |
<Organized Session> OS-01 Frontiers of Digital Therapy as a Novel Modality in Medicine |
<Oral Presentations O1> »abstracts 『Drug Discovery Application(1)』 Chair: Koichiro Kato（Kyushu University), Tomohide Masuda（TORAY INDUSTRIES INC） O1-1 Tatsuya Ishimoto (Tokyo Institute of Technology) "Prediction of Chemical Reaction Type with Hierarchical Graph Neural Networks" O1-2 Shunya Makino (Tokyo Institute of Technology) "Molecular Optimization by Graph Generative Model using Transformers" O1-3 Mami Ozawa (Tokyo Institute of Technology) "An Enhanced Machine Learning Models for Predicting Retrosynthesis Accessibility" O1-4 Takamasa Suzuki (Tokyo Institute of Technology) "Multi-Objective Molecular Optimization by Monte Carlo Tree Search" O1-5 Ryuji Kato (Nagoya University, Tokai National Higher Education and Research System) "Morphology-based drug effect profiling for delicate label-free phenotypic screening" O1-6 Iori Azuma (Laboratory of Molecular Pharmacokinetics, Graduate School of Pharmaceutical Sciences, The University of Tokyo) "A recommendation algorithm for predicting drug effects considering directionality" |
<Oral Presentations O2> »abstracts 『Computational Chemistry (Molecular Recognition) 』 Chair:Yuji Takaoka（Dassault Systemes K.K.）, Takatsugu Hirokawa（University of Tsukuba） O2-1 Keisuke Yanagisawa (Tokyo Institute of Technology) "REstretto: An Efficient Protein-Ligand Docking Tool based on a Fragment Reuse Strategy" O2-2 Suyong Re (National Institutes of Biomedical Innovation, Health and Nutrition) "Binding specificity of phosphopeptide recognition domain analyzed by gREST simulation" O2-3 Shuhei Miyakawa (Hoshi University) "Dynamical interaction analysis of Remdesivir with SARS-CoV-2 RNA-dependent RNA polymerase by MD and FMO calculations" O2-4 Kazuma Harada (Graduate School of Science and Engineering, Kindai University) "Analysis of interaction energies for SMAD4 variants by computational science" O2-5 Tatsunori Miyajima (Kindai University Graduate School of Science and Engineering) "Interaction analysis of 14-3-3 and p53 using fragment molecular orbital method " O2-6 Yuuki Okayama (Graduate School of Science and Engineering, Kindai University) "Comparison of conformer models in PDB structure using Fragment Molecular Orbital Method" |
<Focused Session> FS-01 Origin of Life: Emergence of Intelligence |
Closed Meeting | ||||||||||||||||||||||||||||||||
| 15:00-15:30 | Poster Session (1F Exhibition Hall) | |||||||||||||||||||||||||||||||||||||||
| 15:30-17:00 | <Symposium> S-01 CBI Research Institute Quantum-Structural Life ScienceLabolatories |
<Sponsored Session> SS-02 Amazon Web Services Japan G.K. |
<Symposium> SP-02 Future development of Microphysiological Systems (MPS) -Kicking off the AMED-MPS2 & MPS-RS projects- |
<Sponsored Session> SS-03 NVIDIA |
<Oral Presentations O3> »abstracts 『Computational Chemistry (Molecular Modeling)/Modality/ADMET』 Chair:Hirofumi Watanabe（WithMetis Co., Ltd.）, Hiroshi Kita（KANEKA CORPORATION）, Reiko Watanabe（Osaka University） O3-1 Hiraku Oshima (RIKEN Center for Biosystems Dynamics Research) "Free Energy Perturbation Method in GENESIS" O3-2 Masatake Sugita (Tokyo Institute of Technology) "Lipid composition is critical for accurate membrane permeability prediction of large cyclic peptides by molecular dynamics simulations" O3-3 Hiromitsu Shimoyama (University of Tsukuba) ""Molecular Dynamics Study of 3D-DS dimerization of Cyt c" O3-4 Toru Ekimoto (Yokohama City University) "Complex model of the bile acid transporter NTCP and binding peptides involved in the HBV infection explored by molecular dynamics simulation" O3-5 Takashi Matsumoto (Rigaku Corporation) "MAXS for 3D molecular visualization of human antibody conformational changes" O3-6 YASUHIRO YOSHIDA (University of Occupational and Environmental Health, Japan) "CrotBiopsy:New methods for lung inflammation" |
<Oral Presentations O4> »abstracts 『Data Science/Bioinformatics 』 Chair:Tomohiro Sato（RIKEN）, Yayoi Natsume（NIBIOHN） O4-1 Chiduru Watanabe (RIKEN BDR) "Development of FMODB and Auto-FMO protocol through 2022" O4-2 Nobuaki Yasuo (Tokyo Institute of Technology) "Hit Identification for SARS-CoV-2 Main Protease Using Convolutional Neural Network" O4-3 Haris Hasic (Elix, Inc.) "Evaluating Computer-assisted Single-step Retrosynthesis: How Significant are Recent Improvements?" O4-4 Midori Iida (Kyushu Institute of Technology ) "Developing a network-based combination therapy approach for complex diseases" O4-5 Takayuki Kimura (Tokyo Institute of Technology) "Prediction of Protein Binding Region on RNA with Transformer and Attention Augmentation" O4-6 Chen Li (Kyushu Institute of Technology) "Molecular Generation using Sequence-based Transformer Generative Adversarial Network" |
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| 17:00-19:00 | Poster Session (1F Exhibition Hall) | |||||||||||||||||||||||||||||||||||||||
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| Oct 26 Wed |
Time | 5F | ２F | ４F | ||||||||||||||||||||||||||||||||||||
| Big Hall | Small Hall | Togen | Fukuju | Heian | Zuiun | Training Room | 401 | 403 | 407 | |||||||||||||||||||||||||||||||
| 10:00-12:00 | <Plenary Lecture> "The new developments of Brain-Tech and IT" Chair: Masahiro Tsuji（JST）
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| 12:00-13:30 | <Luncheon Seminar> LS-04 World Fusion Co., LTD. |
<Luncheon Seminar> LS-05 Patcore, Inc. |
<Luncheon Seminar> LS-06 Schrödinger K.K. |
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| 13:30-15:00 | <Invited Talk> "Open the Way to the Future of Healthcare by DX" Chair: Shinichiro Fujiie (PeptiStar Inc.)
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<Sponsored Session> SS-04 Fujitsu Limited |
<Symposium> SP-03 RIKEN |
<Oral Presentations O5> »abstracts 『Drug Discovery Application(2)』 Chair:Takashi Ikegami（MOLSIS Inc.）, Masakazu Sekijima（Tokyo Institute of Technology） O5-1 Chikashige Yamanaka (Kyushu Institute of Technology) "De novo generation of drug candidate compounds from disease-specific transcriptome data using deep learning" O5-2 Kenjiro Tanaka (Graduate School of Pharmaceutical Sciences, Nagoya University) "Data-Driven Understanding of TRPA1 Agonist Diversity" O5-3 Kazuki Yamamoto (The University of Tokyo) "In Silico and In Vitro Screening for Inhibitors of SARS-CoV-2 Main Protease Avoiding Peptidyl Secondary Amides" O5-4 David Jimenez Barrero (Elix, Inc.) "Active Learning via Incremental Revelation: Dipeptidyl Peptidase-4 Inhibitors Case Study" O5-5 Joshua Owoyemi (Elix, Inc.) "SmilesFormer: Language Model for Molecular Design" O5-6 Nazim Medzhidov (Elix, Inc.) "Hit to Lead Discovery of Benzylpiperidine Acetylcholinesterase Inhibitors Using Generative Models: a Retrospective Case Study" |
<Focused Session> FS-02 Computational ADMET related research presentation |
<Focused Session> FS-03 Medical Data AI Analysis Forum |
<Focused Session> FS-04 Advanced Measurement and Analysis |
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| 15:00-15:30 | Poster Session (1F Exhibition Hall) | |||||||||||||||||||||||||||||||||||||||
| 15:30-17:00 | <Symposium> S-02 Research activities for supporting drug discovery by in-silico unit of BINDS (AMED) |
<Sponsored Session> SS-05 OpenEye, Cadence Molecular Sciences |
<Oral Presentations O6> »abstracts 『Computational Chemistry (Molecular Recognition)/Structure Activity Relationship/Quantum-Structural Life Sscience』 Chair:Akitoshi Okada（Japan Tobacco Inc.）, Daisuke Takaya（Osaka University）, Kazutoshi Takahashi（Ajinomoto Co., Inc.） O6-1 Yuma Handa (Hoshi University) "Understanding RNA sequence specificity of inhibitors of translation initiation factor by dynamical FMO analysis" O6-2 Hiromu Matsumoto (Kyushu University) "Development of protein-ligand binding affinity evaluation method by combining classical MD and FMO calculations" O6-3 Hinata Osawa (Graduate School of Medicine, Dentistry and Pharmaceutical Sciences, Division of Pharmaceutical Science of Okayama University) "Structure-Activity Relationship Study of PROTACs against Hematopoietic Prostaglandin D2 Synthase" O6-4 Katsuki Takebe (Osaka University) "Investigation of hydrogen bond network in the active center of catechol O-methyltransferase by X-ray crystallography and FMO method." O6-5 Tomoki Yonezawa (Keio University) "PoSSuMds Update : Addition Of Clinical Candidates And COVID-19 Clinical Trials Information" O6-6 Yuko Tsuchiya (AIRC, AIST) "Databases of similar epitopes, PoSSuMAg, and putative ligand-binding pockets on AlphaFold models, PoSSuMAF" |
<Focused Session> FS-05 Chemical data science and artificial intelligence related research |
<Oral Presentations O7> »abstracts 『Molecular Robotics/Regulatory Science』 Chair:Ibuki Kawamata（Tohoku University） O7-1 Hiroshi Ogata (Tohoku University) "Pattern formation in sol media using branched DNA motifs" O7-2 Mst Rubaya RASHID (Graduate School of Chemical Sciences and Engineering, Hokkaido University, Japan) "Force measurement of kinesin-propelled microtubules in swarming using electromagnetic tweezers" O7-3 Chen Ma (Tokyo Institute of Technology) "Order Parameter Analysis of Microtubule Motility Dynamics" O7-4 Soichiro Hiroi (Graduate School of Arts and Science, The University of Tokyo) "Deep Learning Detection of Giant Vesicles Using a Synthetic Data Set of Confocal Fluorescence Microscopy Images" O7-5 Xiaoran Hu (Tokyo Institute of Technology) "DNA AFM images in Super-resolution by VR system and Deep Learning" O7-6 Masanori Niwano (Sumitomo Chemical Co., Ltd.) "A 3D hydrodynamic ocean model simulation and its data analyses targeting waters off Niihama in Seto Inland Sea, Japan" |
<Focused Session> FS-04 Advanced Measurement and Analysis |
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| 17:00-19:00 | Poster Session (1F Exhibition Hall) | |||||||||||||||||||||||||||||||||||||||
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| Oct 27 Thu |
Time | 5F | ２F | ４F | ||||||||||||||||||||||||||||||||||||
| Big Hall | Small Hall | Togen | Fukuju | Heian | Zuiun | Training Room | 401 | 403 | 407 | |||||||||||||||||||||||||||||||
| 10:00-12:00 | <Plenary Lecture> "New Drug Modalities: From Bench to Bedside" Chair: Satoshi Obika (Osaka University)
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| 12:00-13:30 | <Luncheon Seminar> LS-07 Amazon Web Services Japan G.K. |
<Luncheon Seminar> LS-08 Elsevier Japan KK Toshikazu Dewa(Elsevier Japan KK) |
<Luncheon Seminar> LS-09 Chem-Bio Informatics Society(CBI) |
This session will be held in Room 406. Registration is closed. <Organized Session> OS-02 Meet the legend |
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| 13:30-15:00 | <Panel Discussion> "The Impact of the New Concept of Medicines to Medical Care" モデレーター：Sakata Tsuneaki (Osaka University)
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<Oral Presentations O8> »abstracts 『Drug Discovery Application(3)/Molecular Robotics』 Chair:Teruki Honma（RIKEN）, Ibuki Kawamata（Tohoku University） O8-1 Shunji Suetaka (The University of Tokyo) "Computational and experimental studies of hot spots in the c-Myb–KIX interaction" O8-2 Kyosuke Tsumura (FUJIFILM Corporation) "Upgrade of AI-AAM and its application to lead-to-lead and peptide downsizing scaffold hopping" O8-3 Ryuichiro Ishitani (Preferred Networks, Inc.) "Molecular design method using a reversible tree representation of chemical compounds and deep reinforcement learning" O8-4 Hirotaka Kondo (Kansai University) "Improvement of a Prototype VR AFM Manipulation System Emulated by a Dispensing Machine" O8-5 Ken Komiya (Japan Agency for Marine-Earth Science & Technology (JAMSTEC)) "Experimental Investigation of Extended Nucleic Acid Generation Circuits for DNA-based Signal Transduction" |
<Focused Session> FS-06 CBI Young Researchers, Our RX ~New Career, New Collaboration~ |
<Focused Session> FS-07 "Omics Principles" Committee |
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| 15:00-16:00 | <Award ceremony> <CBI Award Commemorative Lecture>
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| 16:00- | <About CBI2023> <Closing Remarks> |
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C-01 Tsuneaki Sakata (Osaka University)
P-01 Ryozo Nagai (Jichi Medical University)
P-02 Takuko Sawada (SHIONOGI & CO., LTD.)
I-01 Satoshi Obika (Osaka University)
I-02 Ken Ishii (The Institute of Medical Science, The University of Tokyo)
I-03 Makoto Koizumi (Modality Research Laboratories, Daiichi Sankyo Co., Ltd.)
P-03 Mitsuo Kawato (ATR Computational Neuroscience Laboratories (CNS))
P-04 Taro Ueno (SUSMED, Inc.)
I-04 Masahiro Tsuji (JST)
I-05 Tsuyoshi Sekitani (Osaka University)
I-06 Hiroyuki Kobayashi (SHIONOGI & CO., LTD.)
P-05 Hitoshi Kuboniwa (Japan Bioindustry Association, Chugai Pharmaceutical Co., Ltd.)
P-06 Yoshitaka Nakamura (Nippon Shinyaku Co., Ltd.)
Yoshihisa Hagihara (AIST)
Shinichiro Fujiie (PeptiStar Inc.)
Hiroyuki Kobayashi (SHIONOGI & CO., LTD.)
Kaori Fukuzawa (Osaka University)
Y-01 Tsuyoshi Esaki (Data Science and AI Innovation Research Promotion Center, Shiga University)