update 2024.10.27
＜口頭発表一覧 Oral Presetation＞
| Poster No. | Title | First Author | Affiliation |
| O01 10/29 14:00-15:30 [401] （07.創薬応用） | |||
| O01-01 | Unveiling the Potential of RNA-Targeted Small Molecule Therapies: Innovations in Computational and Biophysical Approaches | Ella Morishita | Veritas In Silico Inc. |
| O01-02 | Computational Chemistry and Structure-Based Molecular Design for a Cyclic Peptide Drug Discovery Platform | Atsushi Matsuo | Chugai Pharmaceutical Co.,Ltd |
| O01-03 | Machine learning approach to analyze DNA-encoded library screening data for hit identification | Syunya Suzuki | Nagoya University |
| O01-04 | Scaffold-retained molecule generation considering gene expression profiles with deep learning | Yuki Matsukiyo | Kyushu Institute of Technology |
| O01-05 | Development of a Molecular Generative model via the Decoupled Setting on Multi-objective Bayesian Optimization | Takamasa Suzuki | Tokyo Institute of Technology |
| O01-06 | Optimizing Multitask Learning with Evolutionary Metrics for Enhanced QSAR-based Natural Product Activity Prediction | Donny Ramadhan | Osaka University |
| O02 10/30 10:00-11:30 [研修室]（03.データサイエンス） | |||
| O02-01 | Deep leaning of new morphological characteristics of blood vessel in breast cancer. | Tomoyasu Sugiyama | School of Bioscience and Biotechnology, Tokyo University of Techmology |
| O02-02 | Enhancing Drug-Target Interaction Prediction using Large Language Models and Low-Rank Adaptation | Rintaro Yashiro | Tokyo Institute of technology |
| O02-03 | Exploring Synthetically Accessible Chemical Spaces with Product-of-Expert Chemical Language Models | Shuya Nakata | Graduate School of System Informatics, Kobe University |
| O02-04 | Feature Design of Molecular 3D Structures for Fast Approximate Nearest Neighbor Search | Kotaro Kamiya | SyntheticGestalt KK |
| O02-05 | Clmpy: A platform for Chemical Language Model comparable training and structure generation ability | Shumpei Nemoto | Graduate school of pharmaceutical sciences, The University of Tokyo |
| O02-06 | Fragment descriptors in predictive modeling for molecules and reactions | Pavel Sidorov | Hokkaido University, Institute for Chemical Reaction Design and Discovery (ICReDD) |
| O03 10/30 10:00-11:30 [401] （07.創薬応用） | |||
| O03-01 | Construction of Flavivirus database and therapeutic antibody discovery using machine learning algorithm |
Piyatida Natsrita | Laboratory for Computational Biology, Department of Biological Sciences, Osaka University |
| O03-02 | Digital Transformation on Small Molecule Optimization Research at Astellas Pharma | Mori Kenichi | Modality Informatics, ResearchX, DigitalX, Astellas Pharma Inc. |
| O03-03 | Open Molecule Generator: A Multipurpose Molecule LLM | David Jimenez Barrero | Elix, Inc |
| O03-04 | Application of machine learning to single-cell RNA sequencing provides the candidate drugs against drug-tolerant persister cells in colorectal cancer | Yosui Nojima | Center for Mathematical Modeling and Data Science, Osaka University |
| O03-05 | Predicting Novel Therapeutic Target Molecules Using Neural Networks: Validation and Applicability to Unknown Diseases | Hayato Tsumura | Graduate School of Medicine, Kyoto University |
| O03-06 | Design of Receptor Selective Cell-Penetrating Peptides Using Deep Learning and Simulations | Iori Yamahata | Nagoya University Graduate School of Medicine |
| »ページTOPへ | |||
| O04 10/30 10:00-11:30 [407] （09.分子ロボティクス） | |||
| O04-01 | Biomimetic Multicellular Lipid-Based Membranes for Stimulus-Responsive Drug Delivery | Tsuyoshi Inaba | Molecular Robotics Laboratory, Department of Robotics, Grad.Sch.Eng.,Tohoku Univ. |
| O04-02 | Physical Reservoir Computing Device Using Active Matter Composed of a Swarm of Biomolecular Motors. | Yiming Gong | Graduate School of Science, Kyoto University |
| O04-03 | GAN-Based Multi-Axis Resolution-Enhanced 3D Visualization of Giant Vesicles | Soichiro Hiroi | Department of Basic Science, Graduate School of Arts and Science, The University of Tokyo, Molecular Robotics Research Institute, Co., Ltd. |
| O04-04 | Investigation on heterogeneous pairs of cell-sized liposomes formed in a microfluidic device | Haruto Obuchi | Graduate School of Arts and Sciences, Department of Basic Science, University of Tokyo |
| O04-05 | Integrated web user interface for DNA nanotechnology including coarse-grained molecular dynamics simulation | Ibuki Kawamata | School of Science, Kyoto University |
| O04-06 | Development of a Supervised Deep Learning Method for DNA Sequence Estimation from DNA Images | Hirotaka Kondo | Organization for Research and Development of Innovative Science and Technology, Kansai University |
| O05 10/30 10:00-11:30 [406] （04.量子構造生命科学/05.ADME・毒性/06.バイオインフォマティックス） | |||
| O05-01 | AlphaFold protein 3D structures enhance genome-wide scale compound-protein interaction prediction with deep learning | Yuga Moriyama | Graduate School of Informatics, Nagoya University |
| O05-02 | The effect of food on pharmacokinetics of acotiamide for the treatment of functional dyspepsia | Kazuyoshi Yoshii | Ethical drug research, ZERIA Pharmaceutical Ltd., Co. |
| O05-03 | Computational exploration of bipolar disorder multi-omics data in the quest for novel drug targets | Flora R. Aigbe | Laboratory for Computational Biology, Institute for Protein Research, Osaka University |
| O05-04 | Learning the Language of Life: Feasibility of Using LLMs to Understand Latent Characteristics of Proteins from Residue Structural Environments | Nina Holsmoelle | Laboratory for Computational Biology, Institute for Protein Research, Osaka University |
| O05-05 | SGCRNA: A Novel Tool for Gene Co-Expression Network Analysis Using Spectral Clustering | Tatsunori Osone | Department of Regenerative Science, Okayama University |
| O05-06 | Exploring cancer treatment candidates targeting chromatin remodeling factors | Reiko Watanabe | Laboratory for Computational Biology, Institute for Protein Research, Osaka University |
| O06 10/31 10:00-11:30 [研修室]（03.データサイエンス/08.臨床インフォマティクス） | |||
| O06-01 | 3D structure-based chemical foundation model to predict the bioactivity and toxicity | Tsuyoshi Kimura | Graduate School of Informatics, Nagoya University |
| O06-02 | Comparison Between Word Embeddings and Molecular Descriptors by Clustering and Distribution Analysis from Antioxidant Articles | Yuto Matsumoto | Graduate School of Engineering, Yokohama National University |
| O06-03 | Reconstructable latent representation of molecules by Graph Transformer VAE |
Yasuhiro Yoshikai | Laboratory of Molecular Pharmacokinetics, The University of Tokyo Graduate School of Pharmaceutical Sciences |
| O06-04 | Towards the Design of Natural Product Biosynthetic Gene Clusters Using Natural Language Processing Technology | Tomoki Kawano | Graduate School of Agricultural and Life Sciences, The University of Tokyo |
| O06-05 | Design of Novel Compounds Through Protein-Ligand Interaction-Based Generative Methods | Masakazu Sekijima | Department of Computer Science, Tokyo Institute of Technology |
| O06-06 | Analysis of the usefulness of AlphaMissense score for predicting protein function.-Evaluation by GLA, the causative gene of Fabry disease- | Yuji Sakahashi | Omics Research Center, National Cerebral and Cardiovascular Center |
| »ページTOPへ | |||
| O07 10/31 10:00-11:30 [401] （07.創薬応用） | |||
| O07-01 | SynthFormer: A Customizable Framework for Virtual Synthesis-Based Molecule Generation | Joshua Owoyemi | Elix, Inc. |
| O07-02 | Relationship between cyclic peptide structure in solution and membrane permeability | Takashi Matsumoto | Rigaku Corporation |
| O07-03 | Efficient docking simulation-based generation of bioactive compounds with deep generative models | Hideto Hoshino | Graduate School of Informatics, Nagoya University |
| O07-04 | Optimization of Generator Reward Function Settings for Non-covalent KRAS Inhibitors | Casey J. Galvin | Elix, Inc. |
| O07-05 | Development of Scaffold and Fragment Definition Algorithms with a Case Study on Chemical Library Analysis | Kazuma Kaitoh | Graduate School of Informatics, Nagoya University |
| O07-06 | Deep Learning-Based Protein-Protein Interaction Prediction Considering Angle Information | Yukinobu Matsuno | Department of Computer Science, Tokyo Institute of Technology |
| O08 10/31 10:00-11:30 [407] （01.計算化学(分子計算)） | |||
| O08-01 | Quantum Chemistry-Based Protein-Protein Docking without Any Empirical Parameters |
Takeshi Ishikawa | Graduate School of Science and Engineering, Kagoshima University |
| O08-02 | Prediction and Analysis of Protein-Ligand Complexes Through R-value Analysis of High-Temperature Molecular Dynamics Simulation | Mochammad Arfin Fardiansyah Nasution | Laboratory for Computational Biology, Institute for Protein Research, Osaka University, Department of Chemistry, Graduate School of Science, Osaka University, Artificial Intelligence Center for Health and Biomedical Research, National Institutes of Biomedical Innovation, Health and Nutrition |
| O08-03 | Conditional structure prediction of protein-compound complex | Atsuhiro Tomita | Drug Discovery, Preferred Networks, inc. |
| O08-04 | Integrating Mathematical Modeling and Molecular Dynamics Simulations to study the effect of EGFR Mutations in Lung Cancer | Ai Shinobu | WPI-PRIMe, Osaka University |
| O08-05 | Large-Scale MD-Based CPI Prediction Using Supercomputer Fugaku | Natsuki Kanazawa | Graduate School of Medicine, Kyoto University |
| O08-06 | Progress of data collection in FMO database and efforts to evaluate structural qualities of biological macromolecules using quantum chemical interaction energy analysis | Chiduru Watanabe | Center for Biosystems Dynamics Research, RIKEN |
| O09 10/31 10:00-11:30 [406] （01.計算化学(分子計算)/03.データサイエンス/09.分子ロボティクス） | |||
| O09-01 | Towards the Construction of Next-Generation Molecular Robots with Quick Motion and Information Processing | Shin-ichiro M. Nomura | Department of Robotics, Graduate school of Engineering, Tohoku University |
| O09-02 | Experimental validation of a modified Whiplash PCR for profiling temporal and coexistence patterns of nucleic acids |
Ken Komiya | Institute for Extra-cutting-edge Science and Technology Avant-garde Research (X-star), Japan Agency for Marine-Earth Science & Technology (JAMSTEC) |
| O09-03 | Development of a sustainable database for middle molecules using AI-driven data curation | Kazuyoshi Ikeda | RIKEN Center for Computational Science, RIKEN, Faculty of Pharmacy, Keio University |
| O09-04 | Designing an Information Infrastructure for the Integration and Utilization of Multimodal Bioactivity Information | Shuichiro Makigaki | Faculty of Future Engineering, Kitasato Institute |
| O09-05 | Leveraging LLMs for Quantum Chemistry: A Comparative Study of Input File Generation for Gaussian, DFTB+, and ORCA | Gergely Juhasz | School of Science, Chemistry, Tokyo Institue of Technology |
| O09-06 | Structure and stability of glycan interaction network on the HIV envelope glycoprotein | Suyong Re | Artificial Intelligence Center for Health and Biomedical Research (ArCHER), National Institutes of Biomedical Innovation, Health and Nutrition (NIBIOHN) |