口頭発表リスト Oral Presentation List
発表
氏名
所属番号No.
Name
Affiliation
O01 臨床インフォマティクス
Clinical Informatics
O01-01 Yuto Takemoto
Department of Integrated Health Sciences, Graduate
School of Medicine, Nagoya University
O01-02 Iori Azuma
Laboratory of Molecular Pharmacokinetics, Graduate
School of Pharmaceutical Sciences, The University ofTokyo
O01-03 Kazuki Fujiwara
Ajinomoto Co., Inc.
O01-05 Takafumi Ojima

Osaka University

O01-06 Hiroko
Tokyo Medical and Dental University
Terui-Kohbata
O02 分子ロボティクス/バイオインフォマティクス
Molecular Robotics/Bioinformatics
O02-01 Hirotaka Kondo
Kansai University

演題名Title of Presentation
Robustness comparison of data preprocessing methods for
exosome-derived miRNA microarray data
GLDADec: Guided LDA deconvolution enabled us to identify cell typeproportions
Development of the classification model for groups with relatively lower
hippocampal volume using blood amino acid levels
Body mass index stratification improves polygenic prediction of type 2
diabetes in trans-biobank analysis
An innovative attempt to assist REC procedure for the medical research
involving samples and information held by national network
Development of a Prototype of voice-operated VR Molecular DesignEnvironment

O02-02 Soichiro Hiori

Graduate School of Arts and Science, The University of Deep Learning-Based Deconvolution of Confocal Laser-scanningTokyoFluorescence Microscopy Images for Enhanced Visualization of GiantVesicles
O02-03 Yuhui Zhang
Tokyo Institute of Technology
Large-scale VR Molecular Rendering for Co-creation Environment
O02-04 Narumi Hatano
Graduate School of Medicine and Faculty of Medicine
Application of Machine Learning Models in Prediction of Disease
Kyoto University
Therapeutic Target Molecules Using Gene Expression Profiles
O02-05 Yuki Kuniyoshi
Otsuka Pharmaceutical Co., Ltd.
Gene prioritization using a genetics-led approach for target discoveryof ALS
O02-06 Satoshi Nagaie
Tohoku University Tohoku Medical Megabank
Elucidation of trajectories from healthy state to mibyo and disease
Organization
onset through large-scale specific health checkup data
O03 ケムインフォマティクス・機械学習/AIによる創薬研究
Cheminformatics, machine learning, AI-based drug discovery
O03-01 Yuki Matsukiyo
Kyushu Institute of Technology
De novo inhibitor and activator design from gene expression profiles via
deep learning and Bayesian optimization
O03-02 Yasuhiko Nakao
Nagasaki University Hospital
Development of 53BP1 expression classification model by using
Segment-Anything Model(SAM) and CNN Model in pathological image
O03-03 Tatsuya Yoshizawa Yokohama City University
Multi-objective Molecular Structure Generation Using Dynamic
Applicability Domains Adaptation
O03-04 Shinnosuke Takada Kyushu Institute of Technology
Generating Synthesizable Compound Structures with Desired Properties
via Deep Learning Models
O03-05 Vincent Paul
Elix, Inc.
Benchmarking Deployed Generative Models on Elix Discovery
Guillaume Richard
O03-06 Haris Hasic
Tokyo Institute of Technology
Improving the Practical Applicability of Computer-assisted Chemical
Synthesis Planning Approaches using Substructure Patterns
O03-07 Chiduru Watanabe RIKEN BDR
Development of Auto-FMO protocol and data accumulation in FMODB
through 2023
O04 計算化学（分子計算）/創薬応用/量子構造生命科学
Computational Chemistry (Molecular Modeling) / Drug Discovery Application/Quantum-Structural Life Science/Computer-Aided Drug Design
O04-01 Mochammad Arfin Osaka University
Exploring the Selectivity and Binding Mechanism of ToP-DNJ Toward
Fardiansyah
Endoplasmic Reticulum ⍺-Glucosidase IINasution
O04-02 Suyong Re
National Institutes of Biomedical Innovation, Health and In-silico design of peptide inhibitors containing unnatural amino acid
Nutrition
O04-03 Haruka Kono
Tokyo Institute of Technology
Analysis of the binding profile of quinonoid-form of dihydropteridine toquinonoid-dihydropteridine reductase
O04-04 Risa Shiozawa
Tokyo Institute of Technology
Study Improves Performance of Pocket Comparisons Using Machine
Learning
O04-05 Yuto Komeiji
AISTFundamentals of Molecular Dynamics Simulation
O04-06 Takashi
Rigaku Corporation
MAXS reveals a disorder-to-order transition of the intrinsicallyMatsumotodisordered region in active MAP2K6
O04-07 Jack Yan
Wuxi Biortus Biosciences Co. Ltd.
Near atomic-resolution cryoEM structure of PROTAC ternary complex
O05 計算化学（分子計算）/創薬応用/量子構造生命科学
Computational Chemistry (Molecular Modeling) / Drug Discovery Application/Quantum-Structural Life Science/Computer-Aided Drug Design
O05-01 Ai Shinobu
Osaka University
Molecular details on the binding of inhibitors to c-Src kinase revealed
by molecular dynamics simulations
O05-02 Shun Yokoi
Meiji University
Structural and Computational Insight into Dynamics and Intermediate
State in Activation of Orexin 2 Receptor
O05-03 Ryunosuke
University of Tsukuba
Conformation Search of Ternary Complexes for Rational PROTAC
YoshinoLinker Design Using Enhanced Sampling MethodO05-04 Jumpei Morimoto The University of Tokyo
Conformational studies of oligo(N-methylalanine) and application of theoligomer for designing a ligand against a cancer-related protein MDM2
O05-05 Osamu Ichihara
Schrödinger KK
Uncovering the Mechanism of Molecular Glue Protein Degraders：Thehigh energy water molecules at the P-P interface play key roles in therecruitment of RBM39 to DCAF15
O05-06 Takamasa Suzuki Tokyo Institute of Technology
Development of hit-to-lead molecular optimization by multi-objective
Monte Carlo Tree Search1O06 分子認識と分子計算/創薬応用
Moleuclar recognition and Molecular modeling/Drug Discovery Application
O06-01 Song-Ho Chong
Kumamoto University
O06-02 Ryosuke Kita

Kyushu University

O06-03 Hiromu Matsumoto Kyushu University
O06-04 Yuma Handa

Hoshi University

O06-05 Hiromitsu
Shimoyama
O06-06 Kasumi Yasuda

Noguchi InstituteDept. of Bioscience and Bioinformatics, Faculty ofComp Sci and Systems Eng, Kyushu Institute ofTechnology
O07 データサイエンス/ADME・毒性
Data science/ADMET
O07-01 Kazuyoshi Yoshii Zeria Pharmaceutical Co., Ltd.
O07-02 Chen Li

Nagoya University

O07-03 Shinya Ishihara

Kyushu Institute of Technology

O07-04 Takuto Koyama

Kyoto University

O07-05 Thomas Auzard

Elix, Inc.

O07-06 Nathan Robert
Lugg
O08 分子ロボティクス
Molecular Robotics
O08-01 Ken Komiya

SyntheticGestalt

O08-02 Aoi Takeguchi

Ochanomizu University

O08-03 Shin-ichiro M.
NomuraO08-04 Chen Ma
O08-05 Xiaoran Hu

Graduate school of Engineering, Tohoku University

O08-06 Keita AbeTohoku University

Japan Agency for Marine-Earth Science & Technology

Tokyo Institute of Technology
Tokyo Institute of Technology

Changes in the conformational landscape of Src kinase upon substrate
recognition
Development of a machine learning model for predicting protein-ligand
interactions based on FMO data
Utilizing the FMO Database for Transfer Learning in Constructing
Machine Learning Force Fields for Biomolecular Systems.
Understanding the RNA Sequence Specificity of Translation Initiation
Factor Inhibitors through Dynamical FMO Analysis
Free Energy Analysis of FtsXECL1 Domain Motion byDivide-and-Conquer MD simulation
Transformer Encoder-based Generative Adversarial Network for Designof Polypharmacological Drugs

In silico and in vitro studies for identification ofUDP-glucuronosyltransferase isoforms in acotiamide metabolism
Scaffold-Retained Transformer GAN for Molecular Generation with
Chemical Property Optimization
Computational prediction of target molecules of drug candidate
compounds from cell morphology images
Insight into Federated Learning for Compound-Protein Interaction
Prediction
Binding Compound Database Screening using Deep Learning: Strategies
for Improved Candidate Enrichment
AdaSplit: an adaptive dataset split method

Experimental Investigation of Cascaded DNA Generation Reaction as A
Signal Amplification Circuit
Efficient DNA-based structure automated exploration withmachine-learning models
Lipid Based Artificial Multicellular Systems for Compartmentalized andStimuli-Responsive Drug Delivery
3D Point Cloud Analysis of Microtubule Motility Dynamics
High-Resolution AFM Imaging of DNA Structures: An Approach via
Cycle GANs and Virtual Reality Integration
DNA reaction–diffusion model with polymerization for patternformation2