Chem-Bio Informatics Society(CBI) Annual Meeting 2021
Poster Presentation List
(1)計算化学(分子計算):Computational Chemistry (Molecular Modeling)
(2)計算化学(分子認識):Computational Chemistry (Molecular Recognition) 
(3)データサイエンス:Data Science
(4)構造相関解析:Structure Activity Relationship
(5)構造生命科学 :Structural Bioscience
(8)新型コロナウィルス対策と感染症対策:Against COVID-19 and infectious diseases
(9)創薬応用(その他):Drug Discovery application
(10)臨床応用(その他):Clinical application
(11)レギュラトリサイエンス :Regulatory Science
(12)分子ロボティクス :Molecular robotics

※Poster No.:P-Category-ID(Remo Floor)
Poster No. Title First Author Affiliation
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
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
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
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
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
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.