update　2016.10.23
Chem-Bio Informatics Society(CBI) Annual Meeting 2016
＜Poster/Oral list ＞

（１）分子認識と分子計算 (Molecular recognition and molecular modeling)
（２）インシリコ創薬認識と分子計算 (In silico drug discovery)　
（３）バイオインフォマティクスとその医学応用 (Bioinformatics and its applications in medicine)
（４）医薬品研究とADMET (Information and computing approach for drug design and ADMET study)
（５）上記に属さない先進的研究 (Emerging new technology)

Poster No. Title First Author Affiliation
（１）分子認識と分子計算 (Molecular recognition and molecular modeling)
P1-01 An elucidation of STING phosphorylation mechanism by a combination of molecular dynamics simulations and molecular biological analyses Yuko Tsuchiya Institute for Protein Research, Osaka University
P1-02 Molecular Dynamics Simulation of Shiga Toxin, IV Kazumi Omata National Center for Global Health and Medicine
P1-03 3D reconstruction program for coherent diffraction patterns obtained by XFEL Miki Nakano RIKEN AICS
P1-04 Interaction analysis of MDM2 inhibitor by fragment molecular orbital method Naoto Motoyama Osaka University
P1-05 Hydration Thermodynamics Study of Activation of Hydrolytic Water in Acyl-Trypsin Intermediates Yosuke Masuda Kitasato University
P1-06 Approach to the quantitative prediction of the binding affinity in biomolecular system Yoshiaki Tanida Fujitsu Laboratories Ltd.
P1-07 Theoretical Comparison of the Conformational Affinity between hOGG1 DNA Repair Protein and DNA holding different Numbers of 8-oxoG Ai Suzuki Tohoku University
P1-08 Fragment Molecular Orbital Calculations on the Interaction and Binding Energies of Human Protease Renin and its Inhibitors Yoichiro Yagi Okayama University of Science
P1-09 Construction of a platform for protein-ligand binding affinity prediction: Application to colony-stimulating factor-1 receptor (CSF-1R) Kentaro Takai Fujitsu Limited
P1-10 Estimating the qualitative and quantitative capability of the MM/3D-RISM method Masatake Sugita Ritsumeikan University
P1-11 Computational analysis of interaction between HLA-B*13:01 with Dapson responsible for drug-inducing hypersensitivity syndrome Hiroaki Gouda School of Pharmacy, Showa University
P1-12 An approach for analyzing protein-ligand binding pockets using probe molecules Hiroyuki Sato Fujitsu Laboratories Ltd.
P1-13 Fragment ER : Efficient and Accurate Binding Free Energy Calculation Method for Protein-ligand Complex Tomohide Masuda Toray Industries, Inc.
P1-14 Toward the rapid in silico screening of mutations to improve the thermal stability of proteins Kanji Oshima KANEKA CORPORATION
P1-15 Estimation of binding free energy for the Pim1 kinase-ligand system based on the MM/3D-RISM method Takeshi Hasegawa Department of Bioinformatics, College of Life Scie
P1-16 Inhibition Mechanisms of Carbapenem Antibiotics on Acylpeptide Hydrolase: Docking Simulation Study Hiroki Otaki Nagasaki University
P1-17 Prediction of peptide binding to a major histocompatibility complex class I molecule based on docking simulation Takeshi Ishikawa Nagasaki University
P1-18 Molecular Simulation Analysis of RNA Aptamer to Human Immunoglobulin G Hisae Yoshida Nihon University
P1-19 Analysis of Intermolecular Interactions between Measles Virus Hemagglutinin and Receptors by the Fragment Molecular Orbital Method Fengqi Xu Kobe University
P1-20 Re-docking by Analyzing the Profile of Protein-protein Interaction Yosuke Amano Dept. Sci. ＆ Eng., Tokyo Denki Univ.
P1-21 Application of FMO-LCMO method to Protein-Ligand system Takao Otsuka RIKEN QBiC
P1-22 The molecular simulation for predicting RNA duplex dimerization free-energy changes upon mutations and three dimensional protein-RNA complex structures Shun Sakuraba AI center, AIST
P1-23 Molecular dynamics simulation of binding free energy between protein and ligand Teruhisa KOMATSU QBiC, RIKEN
P1-24 Flexible Fitting to Cryo-EM Density Map using Ensemble Molecular Dynamics Simulations Osamu Miyashita RIKEN Advanced Institute for Computational Science
（２）インシリコ創薬 (In silico drug discovery)
P2-01 Discovery of allosteric non-peptide ERK2 inhibitors through in silico screening and competitive binding assay Takayoshi Kinoshita Osaka Prefecture University
P2-02 In Silico Prediction of Drug Inhibitory Activities to Monoamine Transporters using ADMEWORKS (R) Kazuo Hirota Eisai Co., Ltd.
P2-03 Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis Uno Tagami Ajinomoto
P2-04 Exploring Structural Diversity and Ligand Binding Property Consensus from Protein Structure Database Akitoshi Okada Ryoka Systems Inc.
P2-05 Reactivity evaluation of donepezil in the oxidation by CYP3A4 based on QM calculation Atsuko Sato Kyowa Hakko Kirin Co.,Ltd.
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P2-06		 Molecular dynamic approach to identify significant PTP1B inhibitors to combat diabetes Shabana Bibi Maebashi Institute of Technology
P2-07 Bridging the dimensions: Seamless integration of 3D structure-based design and 2D structure-activity relation-ships to guide medicinal chemistry Marina Takahashi Hulinks Inc.
P2-08 Predicting inhibitory and activatory effects of drug candidate compounds from chemically-induced transcriptome data by a multitask learning with gene perturbation similarity Ryusuke Sawada Kyushu University
P2-09 Apo- and antagonist-binding structures of vitamin D receptor ligand-binding domain in solution studied by MD and SAXS hybrid approachy Yasuaki Anami Showa Pharmaceutical University
P2-10 Efficient Similarity Search Using Multiple Reference Molecules on PG-Strom architecture Kohei KaiGai NEC Business Creation Division
P2-11 Fragment-based Drug Design based on SZMAP Water Mapping in Protein Active Site Hideyuki Sato OpenEye Japan Co.,Ltd.
P2-12 Application of deep learning for large scale data with standard performance workstation(s) Tetsuro KITAJIMA Research Institute of Systems Planning Inc.
P2-13 Hydrogen bond basicity prediction for common fragments in high-activity compounds Yoshio Okiyama RIKEN CLST
P2-14 Human insight in drug discovery: docking pose selection in protein-ligand docking and hit-compounds selection in structure-based virtual screening Kazuki Yamamoto The University of Tokyo
P2-15 Structure-Based Rational Design of Novel Oral Bioactive LXR Modulators Tomohiro Shimada TEIJIN PHARMA LIMITED
P2-16 Prediction of sites of metabolism of compounds for CYP1A2 by combined molecular simulations Hiroaki Saito RIKEN Quantitative Biology Center (QBiC)
P2-17 Prediction of Tankyrase2-ligand Binding Affinities Using Molecular Mechanics and Quantum Mechanics Calculations Noriaki Okimoto RIKEN QBiC
P2-18 Towards Desktop laboratory from MD, docking, and virtual screening to bio assay: Computation performance Tadaaki Mashimo N2PC (IMSBIO Co., Ltd.)
P2-19 ESPRESSO: An ultrafast compound pre-screening method with segmented compounds Keisuke Yanagisawa Tokyo Institute of Technology
P2-20 Singular Value Decomposition in the FMO-IFIE Analysis for Ligand Screening Keiya Maruyama Kobe University
P2-21 GPCR/Membrane Model Builder for Molecular Dynamics Simulation Mitsuhito Wada Next Generation Natural Products Chemistry
P2-22 Postprocessing protein-ligand docking based on the distance among interaction energy vectors Nobuaki Yasuo Tokyo Institute of Technology
P2-23 Drug repositioning for Chagas disease by docking simulation and in vitro assay Ryunosuke Yoshino The University of Tokyo
P2-24 Development of the selective inhibitor of WNK1 using fragment compounds Nae Saito The University of Tokyo
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P2-25		 Discovery of Novel LPA-1 Antagonists - Computational Analysis for Molecular Design - Hiromu Egashira Ono Pharmaceutical Co., Ltd.
P2-26 Semi-automated FMO calculation protocol for construction of IFIE-database Chiduru Watanabe RIKEN CLST
P2-27 Flexible ligand docking to multiple receptor: application to tankyrase2-ligand system Yoshinori Hirano RIKEN QBiC
P2-28 An Application of Deep Learning for Classifying Chemical Structures Yoshinori Wakabayashi BY-HEX LLP
（３）バイオインフォマティクスとその医学応用 (Bioinformatics and its applications in medicine)
P3-01 Generation of Amino Acid Indices to Distinguish Two Peptide Groups Riho Miyaki Kwansei Gakuin University
P3-02 Network-based-Analysis of Glycosyltransferase and Protein Interaction Shogo Satoyama Kwansei Gakuin University
P3-03 Neuronal differentiation model constructed from combination of network motifs in the comprehensive molecular interaction map Tsuyoshi Iwasaki Sumitomo Dainippon Pharma Co., Ltd.
P3-04 Prediction of interacting proteins from homologous protein-protein interactions Yoichi Murakami NIBIOHN
P3-05 Toxygates for toxicogenomics analysis: an update Yayoi Natsume-Kitatani NIBIOHN
P3-07 Network inference from promoter activity in lung cancer Yukiko Sano Juntendo University
P3-08 An integrative systems analysis of gene expression profiles of the fibrotic lung from CD151 knockout mice reveals insights into the mechanisms of lung fibrosis Lokesh P. Tripathi NIBIOHN
P3-09 Pathway-based drug discovery and repositioning by large-scale chemically-induced transcriptomics Michio Iwata Kyushu University
P3-10 Evaluating immune related function and characteristic analysis of the Okinawan lactic acid bacteria Shinya Ikematsu National Institute of Technology, Okinawa College
P3-11 Using gene expression profiles to identify the underlying mechanism of adverse drug events Attayeb Mohsen NIBIOHN
P3-12 Garuda Platform - Connecting Analytics for Open Innovation Yukiko MATSUOKA SBX Corporation, The Systems Biology Institute
P3-13 Genetic analysis of mitochondrial disorder Masakazu KOHDA Saitama Medical University
P3-14 A novel ChIP-Seq spike-in strategy enables detection of global histone modification changes across the genome Masato Yonezawa Active Motif, Inc., Carlsbad, CA USA
P3-15 Development of the Protein Motif Extraction System based on an Artificial Bee Colony Algorithm Takashi Yamamoto Toyohashi University of Technology
P3-16 Clustering of Flaviviridae based on RNA sequences using Deep Learning Shuya Yamamoto Grad. Sch. of Eng. Sci., Osaka University
P3-17 Deep Learning and Human Recognition of Biomolecules for Drug Design and Screening Jun Miyake Graduate School of Engineering Science, Osaka Univ
P3-18 Analysis of mitochondrial DNA based on whole sequence using Deep Learning Masato Shimabayashi Grad. Sch. of Eng. Sci., Osaka University
P3-19 VaProS: A Data Cloud Approach for Integration of Protein and Genome Information Takashi Gojobori King Abdullah University of Science and Technology
（４）医薬品研究とADMET (Information and computing approach for drug design and ADMET study)
P4-01 Evaluation of drug-likeness on bioavailability by in vitro screening Yukinori Kawai DAIICHI SANKYO RD NOVARE CO., LTD.
P4-02 Proposal of in silico mechanism-based methodology for prediction of toxicity Yu Haranosono Senju Pharmaceutical Co., Ltd.
P4-03 Prediction of chemical-induced developmental and reproductive toxicity in human using the machine learning Koki Matsuoka Tokushima University
P4-04 Informatic assessments of global gene expression data obtained from the analysis of hepatice stellate cell deactivation process Seiichi Ishida National Institute of Health Sciences
P4-05 Prediction for chemical-induced hepatomegaly and computational analysis of feature motifs Kaori Ambe Nagoya City University
P4-06 The importance of the applicability domain in prediction QSAR model for chemical-induced hepatomegaly Kana Ishihara Nagoya City University
P4-07 Estimation of Mechanism-of-Action of Pharmaceutical Compounds Based on Systems Biology Approach Ryuta Saito Mitsubishi Tanabe Pharma Corporation
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P4-08		 Intestinal absorption of citrus fruits-derived heptamethoxflavone in rats Shion ITO Matsuyama University
P4-09 Prediction of hERG binding using a nondominated sorting genetic algorithm and Support Vector Machine Keiji Ogura RIKEN Center for Life Science Technologies
P4-10 Characterization of cardiac phenotype and drug responses in MiraCellTM Cardiomyocytes from ChiPSC12, a new product of iPS-derived Cardiomyocytes Toshikazu Nishie CDM center, TAKARA BIO. INC.
P4-11 Study of Effects of NF-κB for Reporting Frequency of Adverse Drug Reactions based on Tox21-AOP Database Jun Teraoka Meiji Pharmaceutical University
P4-12 HGS is a new molecular target for antitumor medicine Kiyoshi Ogura Tokyo Metropolitan Institute of Medical Science
P4-13 Construction of the integrated database for hERG blocking small molecules Tomohiro Sato RIKEN, CLST
P4-14 Analyses of Chemical Properties Associated with Reporting Frequency of Erythema Exudativum Multiforme Major in Adverse Drug Reaction Database Yuhei Mashiyama Meiji Pharmaceutical University
P4-15 Analyses of Chemical Properties for Reporting Frequency of Thrombocytopenia in Adverse Drug Reaction Database Yurie Yoshida Meiji Pharmaceutical University
P4-16 Analyses of Chemical Properties Associated with Reporting Frequency of Interstitial Lung Disease in Adverse Drug Reaction Database Ryota Higuchi Meiji Pharmaceutical University
（５）上記に属さない先進的研究 (Emerging new technology)
P5-01 Lipoproteins for DDS Tatsuya Murakami Toyama Prefectural University
P5-02 Spontaneous pseudorotaxane formation methods targeting on nucleic acids Kazumitsu Onizuka IMRAM, Tohoku University
P5-03 Construction of Organic-Inorganic Nanostructures by Multiple Site-Specific Precipitations on DNAs Using Artificial Peptides Makoto Ozaki Konan university, FIRST
P5-04 Construction of self-assembled DNA microstructures for synthesis of molecular robots Masamune Morita Tokyo Institute of Technology
P5-05 Allosteric control of nanomechanical DNA origami devices Naohide Akamatsu Dept. Chem. Mater. Eng., Kansai University
P5-06 Creation of Phototactic Liposome by Photo-Responsive Peptide Kazunori Matsuura Tottori University
P5-07 Density Functional Theory and Random Matrix Theory in Proteogenesis Masanori Yamanaka Nihon University
P5-08 Morphological control of tubulin-encapsulating giant-liposomes induced by change of hydrostatic pressure, temperature and osmotic pressure Masahito Hayashi Grad. Sch. Sci., Nagoya Univ.
P5-09 Challenge to Develop the Platform of Personalized Medicine and Point-of-Care for Elderly People in Local City of Japan Toshihisa Ishikawa NGO Personalized Medicine ＆ Healthcare
P5-10 Causality Analysis for Finding Potential Cancer Driver Genes Using a Differential Gene Expression profile in Gene Regulatory Network Bharata Kalbuaji Tokyo Institute of Technology
P5-11 Microtubules Flow Dynamics Analysis on Gliding Assay Bulibuli Mahemuti Tokyo Institute of Technology
P5-12 PROLOQL: Integration of SPARQL and Prolog for Sematic Web Systems Kenta Watanabe Tokyo Institute of Technology
P5-13 Liposome-based Liquid Handling System Shota Katsuta Chuo University
P5-14 Photochemical RNA editing using 3-vinylcarbazole analog containing oligodeoxynucleotide Yasuharu Takashima Japan Advanced Institute of Science and Technology
P5-15 The effect of 5-substitution in pyrimidine base in DNA photo-cross-linking using 3-cyanovinylcarbazole Shigetaka Nakamura Japan Advanced Institute of Science and Technology
P5-16 Construction and functional analysis of DNA origami base DNA-RNAP hybrid nanomachine Takeya Masubuchi Grad. Sch. of Frontier Sci., The Univ. of Tokyo
P5-17 A Universal Asynchronous Cellular Automaton with Cyclic-States Cells Teijiro Isokawa University of Hyogo
P5-18 Development of signal amplification circuit composed of acyclic D-threoninol nucleic acid (D-αTNA) for detection of RNA Ryuya Nagao Graduate School of Engineering, Nagoya University
P5-19 Protein Structure Analysis Platform for Academia-based Drug Discovery Takashi Umehara RIKEN Center for Life Science Technologies (CLST)
P5-20 Toward the Molecular Artificial Intelligence by using DNA reactions Yasuhiro Suzuki Nagoya University
P5-21 Microfluidic Formation of Lipid Bilayer-stacking Kan Shoji Tokyo University of Agriculture and Technology
P5-22 Novel Compensation method for Gene Expression Fluctuation by Real-time Single-cell Selection Yumiko Tanaka Tokyo Univ., Grad. Sch. Sci.
P5-23 Live Controlled Real-time Microtubule Gliding Assay Simulation for Understanding Dynamic Behavior Greg Gutmann Tokyo Institute of Technology
P5-24 Automatic AFM-Image Classification with Deep Learning Fumiya Kawano Tokyo Institute of Technology
P5-25 Structural basis of kinase selectivity of pyrrolo pyrimidine inhibitors between HCK and FLT3 Yuri Tomabechi RIKEN
P5-26 Nanoscale Investigation of mRNA Localization and Dynamics in Stress Granules Ko Sugawara University of Tokyo
P5-27 Control of DNA hybridization by Electric fields Keitel Cervantes-Salguero Tohoku University
P5-28 Controlling diffusion coefficient in gelatinous medium by using DNA strand displacement Thanapop Rodjanapanyakul Tohoku University
P5-29 Simulation of DNA Nanostructure Self-assembly by using Game Engines Theo Dammaretz Tohoku University
P5-30 Membrane-like structure made of DNA motifs Yuma Endo Tohoku University

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