Poster Presentations
27-28 July, 2000 Japan Pharmaceutical Building

• 1-1 Theoretical Study on the Methylation of Nucleophilic Sites in DNA Bases, by the Methanediazonium Ion
  Naofumi Nakayama, Shunsuke Tanaka, and Osamu Kikuchi (Department of Chemistry, University of Tsukuba)
  
  
• 1-2 Molecular Dynamics Simulations of Protein Folding
  Atsushi Suenaga, Noriaki Okimoto, and Toshikazu Ebisuzaki (The Institute of Physical and Chemical Research (RIKEN))
  
  
• 1-3 An Approach to Assess the Side Chain Flips of Histidine, Asparagine, and Glutamine as Well as the Protonation Forms of Histidine in Protein Structures
  Yoriko Iwata, Atsushi Kasuya, and Shuichi Miyamoto (Exploratory Chemistry Research Laboratories, Sankyo Co., Ltd.)
  
  
• 1-4 Multicanonical Weighted Histogram Analysis Method for the free energy landscape of proline cis-trans isomerizartion
  Satoshi Ono, Junichi Higo, and Haruki Nakamura (Department of Bioinformatics, Biomolecular Engineering Research Institute, Institute for Protein Research, Osaka University)
  
  
• 1-5 Ab Initio Molecular Orbital Calculation of the Ramchandran-Type Potentials of Amino Acids and Their Implications for Protein Structures
  Michio Iwaoka, Mai Okada, and Shuji Tomoda (Graduate School of Arts and Sciences, University of Tokyo)
  
  
• 1-6 Mechanism of the GTP�¨GDP hydrolysis reaction by Giƒ¿1 protein
  T. Hoshino, K. Mizutani, T. Itoh, M. Hata, and M. Tsuda (Faculty of Pharmaceutical Sciences, Chiba University)
  
  
• 1-7 Molecular dynamics simulation of thermal unfolding of a dimeric protein, 3-isopropylmalate dehydrogenase with MD engines
  Y. Kanai1, K. Ono1, Y. Hayashi-Iwasaki1, K. Hiraga1, C. Motono1, T.Oshima1, H. Miyagawa2, K. Kitamura2, and A. Yamagishi1 (1Univ. of Pharm. & Life Sci., 2Taisho Pharmaceutical Co. LTD.)
  
  
• 1-8 Folding of 28mer polypeptide by Monte Carlo simulation
  Toshiyuki Meguro, Tadasi Andou, and Ichirou Yamato (Department of Biological Science and Technology, Sci. Uni. Tokyo)
  
  
• 1-9 Theoretical Studies of ATP Hydrolysis Mechanism by Myosin
  Noriaki Okimoto, Kazunori Yamanaka, Masayuki Hata, Tyuji Hoshino, and Minoru Tsuda (Institute of Physical and Chemical Research (RIKEN), Chiba University)
  
  
• 1-10 Atomically and molecularly unified GTPase reaction mechanism in GTP-binding proteins
  Noriyuki Futatsugi*1, Masayuki Hata*2, Tyuji Hoshino*2, and Minoru Tsuda*2 (*1Institute of Physical and Chemical Research (RIKEN), *2Chiba University)
  
  
• 1-11 Fragment Molecular Orbital Method Program ABINIT-MP: Application to Proteins
  Tatsuya Nakano*1, Tsuguchika Kaminuma*1, Masami Uebayasi*2, Toshiyuki Sato*3, Yuichi Inadomi*4, Yutaka Akiyama*4, Yuto Komeiji*5, Umpei Nagashima*6, and Kazuo Kitaura*7 (*1National Institute of Health Sciences, *2National Institute of Bioscience and Human-Technology, *3Fuji Research Institute Corporation, *4University of Tsukuba, *5Electrotechnical Laboratory, *6National Institute for Advanced Interdisciplinary Research, and *7Osaka Prefecture University)
  
  
• 1-12 Comparative modeling of Na+ translocating V1-ATPase from Enterococcus hirae
  Yasushi Yoshikawa*1, Ichiro Yamato*1, and Takeshi Kikuchi*2 (*1Department of Biological Science and Technology, Science University of Tokyo, *2Department of Chemical Technology, Kurashiki University of Science and the Arts)
  
  
• 1-13 Density Functional MO Calculations for Hydrogen-bonding and Stacking Interactions in Double-stranded DNA
  Noriyuki Kuritaa,* and Kinya Kobayashib (aDepartment of Knowledge-based Information Engineering, Toyohashi University of Technology, bHitachi Research Laboratory, Hitachi Ltd.)
  
  
• 1-14 Conformation of Oligopeptides Prepared From ƒ¿, ƒ¿-Disubstituted Amino Acids: Molecular Mechanics Study
  Masaaki Kurihara*1, Masakazu Tanaka*2, Makoto Oba*3, Hiroshi Suemune*2, and Naoki Miyata*1 (*1National Institute of Health Sciences, *2Kyusyu University)
  
  
• 2-1 A Database of Drugs Registered in Japan
  S. Suzuki*1, T. Kawaide*1, H. Taki*2, S. Hasegawa*2, M. Yamamoto*2, T. Nakano*2, N. Miyata*2, and T. Kaminuma*2 (*1Data Index Corporation, *2NIHS)
  
  
• 2-2 A Chemical Database for Environmental Health
  H. Taki*1, C. Ohtake*1, T. Nakano*1, H. Takano*2, K. Maeda*2, and T. Kaminuma*1 (*1NIHS, *2Internet Atlas Corp.)
  
  
• 2-3 A Database for Potential Endocrine Disruptors and Related Chemicals
  T. Nakano*1, K. Tomori*2, H. Takano*2, K. Koyano*1, and T. Kaminuma*1 (*1NIHS, *2Internet Atlas Corp.)
  
  
• 2-4 Affinity binding database for endocrine disruptors
  Takako Takai-Igarashi, Shikiko Hasegawa, and Tsuguchika Kaminuma (National Institute of Health Sciences)
  
  
• 2-5 Structure-activity Relationships of Indoloquinazolin Alkaloids from the Fruits of Evodia rutaecarpa
  Isao Fujii, Yoshinori Kobayashi*, and Noriaki Hirayama (Department of Biological Science and Technology, Tokai University, *Tsukuba Research Laboratories, Kyowa Hakko Kogyo Co. Ltd.,)
  
  
• 2-6 A Novel Three-Dimensional Quantitative Structure-Activity Relationship Procedure; Voronoi Field Analysis and Its application to Synthetic Pyrethroids.
  Hiroshi Chuman1*, Satoru Goto1, Mami Karasawa2, Mikio Sasaki3, Umpei Nagashima4, Keiichiro Nishimura5, and Toshio Fujita6 (1The University of Tokushima, 2Kureha Chemical Industry Co. Ltd., 3Saila System Inc., 4National Institute for Advanced Interdisciplinary Research, 5Osaka Prefecture University, 6EMIL PROJECT)
  
  
• 2-7 Calculations of binding energies of estrogen receptors and their ligands
  K. Fukuzawa*1, I. Ohkochi*1, K. Koyano*2, T. Nakano*2, K. Nakata*2, and T. Kaminuma*2 (*1Fuji Research Institute Corp., *2NIHS)
  
  
• 3-1 Homology Modeling of Leptin/Leptin Receptor Complex
  Takaaki Hiroike, Junichi Higo, Hisato Jingami, and Hiroyuki Toh (Biomolecular Engineering Research Institute)
  
  
• 3-2 Analysis of MHC Class II Binding Peptides using Fuzzy Neural Networks
  Taizo Hanai, Hideki Noguchi, Hiroyuki Honda, Leonard C. Harrison, and Takeshi Kobayashi (Department of Biotechnology, Graduate School of Engineering, Nagoya University, The Walter and Eliza Hall Institute of Medical Research, Royal Melbourne Hospital)
  
  
• 3-3 Launch of the HUNT full-length cDNA database from Helix Research Institute
  Henrik T. Yudate*, Makiko Suwa, Ryotaro Irie, Hiroshi Matsui, Yoshitaka Nakamura, Daisuke Yamaguchi, Zhang Zhi Peng, Yasuhiko Masuho, Koji Hayashi, Tetsuji Otsuki, Takao Isogai, and Keiichi Nagai (Helix Research Institute, Inc. 1532-3, Yana, Kisarazu, 292-0812 Chiba, Japan)
  
  
• 3-4 Sequence Analysis of Transmembrane Segments with Lower Hydrophobicity in Polytopic Membrane Proteins
  Hiromitsu Araki, Toshihisa Takagi, and Kenta Nakai (Institute for Molecular and Cellular Biology, Osaka University, Human Genome Center, Institute of Medical Science, University of Tokyo)
  
  
• 3-5 Prediction of transcription factors using a decision tree learning algorithm
  Goro Terai1,2, Takeshi Mizuno2, Kenta Nakai1, and Toshihisa Takagi1 (1 Human Genome Center, Institute of Medical Science, University of Tokyo, 2 INTEC Web and Genome informatics Corporation)
  
  
• 3-6 Data Warehousing Applied in Livestock Immunology Research
  Christian Schonbach1,2, Judice L.Y. Koh1, and Vladimir Brusic1 (1Kent Ridge Digital Labs, Computational Immunology Group, Singapore, 2Present address: Genomic Sciences Center (RIKEN), Bioinformatics Group, Japan)
  
  
• 3-7 Bioinformatics Platform of Gene Expression Database
  *Takatoshi Kawai, Junro Kuromitsu, Akira Yokoi, and Takeshi Nagasu (The Laboratory of Seeds Finding Technology, Eisai Co., Ltd.)
  
  
• 3-8 Agent system of collecting SNPs data from the Internet
  Takako Takai-Igarashi, Masahiko Tokunaga, Kotoko Nakata, and Tsuguchika Kaminuma (National Institute of Health Sciences, AdIn Research, Inc.)
  
  
• 3-9 Evaluation of Protein Structure Prediction System by Secondary Structure Mapping
  Shigetoshi Yoshikawa and Yasuo Yonezawa (Graduate School of Science & Engineering, Ibaraki University)
  
  
• 3-10 Binding Affinity Between Eukaryotic DNA Polymerase ƒÀ and Molecular Probe
  Shinya Hanashima, Yoshiyuki Mizushina, Takayuki Yamazaki, Nobuyuki Kasai, Keisuke Ohta, Syunya Takahashi, Kengo Sakaguchi, and Fumio Sugawara (Applied Biological Science, Science University of Tokyo, The Institute of Physical and Chemical Research (RIKEN))
  
  
• 3-11 Automatic Protein Homology Modeling System-FASM (Full Automatic Modeling System)
  Mitsuo Iwadate, Kazuyoshi Ebisawa, Shigetsugu Kawakita, and Hideaki Umeyama (School of Pharmaceutical Science, Kitasato University)
  
  
• 3-12 A Database for Localization of Biomolecules
  Osamu Ogasawara*1, Takako Takai*2, and Tsuguchika Kaminuma*2 (*1Information and Mathematical Science Lab. Inc., *2National Institute of Health Science)
  
  
• 3-13 Representation and Detection of Structural Motifs
  Jianghong An1, Hiroshi Wako2, and Akinori Sarai1 (1RIKEN Tsukuba Institute, 2School of Social Sciences, Waseda University)
  
  
• 3-14 Thermodynamic Database for Protein-Nucleic Acid Interactions
  P. Prabakaran, J. An, M.M. Gromiha, S. Selvaraj, H. Uedaira, H. Kono*, and S. Sarai (RIKEN Tsukuba Institute, *Department of Chemistry, University of Pennsylvania�j
  
  
• 3-15 Development of a Thermodynamic Database for Protein-Ligand Initeractions
  Samuel Selvaraj2, Hideo Kubodera1, Hiroaki Ueno1, Michiru Kamizono1, Masako Okamoato1, Jianghong An2, Ponraj Prabakaran2, and Akinori Sarai2 (1Mitsubishi-Tokyo Pharmaceuticals, Inc., 2RIKEN Institute)
  
  
• 3-16 Recent Developments of ProTherm: Thermodynamic Database for Proteins and Mutants
  M.Michael Gromiha, Jianghong An, Hidetoshi Kono, Motohisa Oobatake1, Hatsuho Uedaira, P. Prabakaran, S. Selvaraj, and Akinori Sarai (RIKEN Tsukuba Institute,1Faculty of Science and Technology, Meijo University)
  
  
• 3-17 Exploration for gene duplications and their functional diversification in human genome
  Toshinori Endo and Hiroshi Tanaka (Medical Research Institute, Tokyo Medical and Dental University)
  
  
• 3-18 Computer Modeling of Human Erythrocyte using ECELL Simulation System
  Yoichi Nakayama, Ayako Kinoshita, Ryo Matsushima, Mitsuhiro Kita, and Masaru Tomita (Laboratory for Bioinformatics, Keio University)
  
  
• 4-1 Simulation Program of Metabolites Formed Gradually within the Body Based on Physiological Pharmacokinetics
  Shunichi Fukano (Department of Toxicology, The Tokyo Metropolitan Research Laboratory of Public Health)
  
  
• 4-2 Database for drug development: Molecular weight and lipophilicity of orally absorbed drugs in humans
  Toshiyuki Sakaeda1), Fumiyoshi Yamashita2), Mitsuru Hashida2), and Katsuhiko Okumura1) 1) Department of Hospital Pharmacy, School of Medicine, Kobe University 2) Department of Drug Delivery Research, Graduate School of Pharmaceutical Sciences, Kyoto University)
  
  
• 4-3 Database for drug development: Role of NAT2 and cytochrome P450 2C19 genotypes in drug therapy
  Tomoko Kita1, Toshiyuki Sakai2, Nobuo Aoyama2, Toshiyuki Sakaeda1, Masato Kasuga2, and Katsuhiko Okumura1 (1Department of Hospital Pharmacy, School of Medicine, Kobe University, 22nd Department of Internal Medicine, School of Medicine, Kobe University)
  
  
• 4-4 Prediction of Chemical Safety
  Kazutoshi Tanabe and Takatoshi Matsumoto (National Institute of Materials and Chemical Research)
  
  
• 4-5 Essential Chemical Characteristics for Drugs
  Isao Fujii, Tatsuya Nakano*, Shikiko Hasegawa*, Miyako Yamamoto*, Tuguchika Kaminuma*, and Noriaki Hirayama (Department of Biological Science and Technology, Tokai University, 317 Nishino, Numazu, Shizuoka 410-0321, Japan, *National Institute of Health Sciences, 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, Japan)
  
  
• 4-6 Human Hepatocytes as a Tool for the Quantitative Prediction of Hepatic Uptake Clearance of Drugs
  Yoshihisa Shitara*1, Chuang Lu*2, Albert P. Li*2, Yukio Kato*3, Hiroshi, Suzuki*3, Satoshi Suzuki*4, Tetsuo Satoh*4, Kiyomi Ito*1, Tomoo Itoh*1, and Yuichi Sugiyama*3 (*1Kitasato University, *2In Vitro Technologies, Inc., *3The University of Tokyo, *4Biomedical Research Institute, HAB Discussion Group)
  
  
• 4-7 Anticancer Prostaglandin-induced Cell Cycle Arrest and Its Modulation by GS-X pump Inhibitors.
  Toshihisa Ishikawa1,2, Kunihiro Akimaru2,3, Kyoji Furuta4, Masaaki Suzuki4, and Ryoji Noyori5 (1 Graduated School of Bioscience and Biotechnology, Tokyo Institute of Technology, 2 Department of Experimental Pediatrics, University of Texas M.D. Anderson Cancer Center, 3 Department of Hygiene, Kochi Medical College, 4 Department of Biomolecular Science, Faculty of Engineering, Gifu University, 5 Department of Chemistry, Graduated School of Science, Nagoya University)
  
  
• 4-8 Cell Signaling Networks Database and its Application to Medicinal Biology
  Takako Takai-Igarashi and Tsuguchika Kaminuma (National Institute of Health Sciences)
  
  
• 4-9 Integration of chemical and biological databases in MOBI-DICS project
  Takako Takai-Igarashi, Masahiko Tokunaga, Tatsuya Nakano, Kotoko Nakata, and Tsuguchika Kaminuma (National Institute of Health Sciences, AdIn Research Inc.)
  
  
• 4-10 A Knowledge Base for Drug Metabolizing Enzymes Cytochrome P450 Drug Interactions
  M. Yamamoto*1, T. Takai*1, T. Nakano*1, Y. Aida*2, Y. Hama*2, H.Ochiai*2, H.Shimizu*2, R.Saito*2, N.Ozawa*3, M.Hashimoto*3, and T. Kaminuma*1 (*1NIHS, *2Advanced Research Institute for Science and Engineering, Waseda University, *3Pharmacia&Upjohn)
  
  
• 4-11 Development of Receptor Database (RDB)
  Kotoko Nakata, Takako Takai, Shikiko Hasegawa, and Tsuguchika Kaminuma (National Institute of Health Sciences)
  
  
• 4-12 Tiered Assay System for Toxicity of Chemicals Using C. elegans
  Masahito Watanabe*1, Nanako Mitani*1, Yoshiteru Suzuki*1, Keizaburo Miki*1, Johji Miwa*2, and Tsuguchika Kaminuma*3 (*1Bios Research Institute, *2Chubu University, *3NIHS)
  
  
• 4-13 Estimation of contribution of organic anion transporters to the physiological phenomena by using specific inhibitors
  D. Sugiyama1), Y. Shitara2), N. Morita1), H. Kusuhara1), T. Sekine3), H. Suzuki1), H. Endou4), and Y. Sugiyama1) (1) Graduate School of Pharmaceutical Sciences, University of Tokyo, 2) School of Pharmaceutical Sciences, Kitasato University, 3)Faculty of Medicine, University of Tokyo, 4)Kyorin University School of Medicine)
  
  
• 4-14 Quantitative prediction of in vivo biliary excretion clearance across the bile canalicular membrane from in vitro transport studies with isolated membrane vesicles.
  Jun Aoki, Hiroshi Suzuki, and Yuichi Sugiyama (Department of Biopharmaceutics, Graduate School of Pharmaceutical Sciences, The University of Tokyo)
  
  
• 4-15 Comparative studies of the methods for evaluating MDR1 P-glycoprotein function
  Y. Adachi 1), H. Suzuki1, 2) , and Y. Sugiyama1, 2) (1) Graduate School of Pharmaceutical Sciences, The University of Tokyo, 2) CREST, JST)
  
  
• 5-1 Estimation of gene regulatory network using multiple regression analysis from actual DNA microarray data
  Mamoru Kato1, Tatsuhiko Tsunoda2, and Toshihisa Takagi3 (1Department of Physics, Graduate School of Science, Univ. of Tokyo, 2SNP Research Center, Institute of Physical and Chemical Research, 3Human Genome Center, Institute of Medical Science, Univ. of Tokyo)
  
  
• 5-2 Comparison of genome-wide expression patterns of heavy metal treatment in Saccharomyces cerevisiae 1) Cadmium and mercury
  Yuko Momose1), Emiko Kitagawa1), Junko Takahashi2), Yukie Miyamoto1), and Hitoshi Iwahashi1) (1National Institute of Bioscience and Human-Technology, Agency of Industrial Science and Technology, 2)Daikin Environmental Laboratory, LTD.)
  
  
• 5-3 Gene Expression monitoring by Rice cDNA Microarray
  Junshi Yazaki1, Naoki Kishimoto2, Fumiko Fujii1, Keiko Nakamura1, Yoshimi Ohtsuka1, Kanako Shinbo1, Yuko Ohtake2, Kimiko Yamamoto1, Katsumi Sakata2, Takuji Sasaki2, and Shoshi Kikuchi2 (1STAFF Institute, 2NIAR)
  
  
• 5-4 High throughput screening of nucleic acids using DNA probes giving extremely high rate of hybridization
  Makoto Tsuruoka, Setsuko Murano, and Makoto Okada (Advanced Science and Technology Laboratory, Hiroshima City)
  
  
• 5-5 Protein Chipa Systems: Enabling rapid Biomaker Discovery
  Hisashi Arikuni* Kenji Saitoh*, and Enrique A. Dalmasso# (*Kamakura Research Laboratory, Ciphergen Biosystems K.K, 200 Kajiwara, Kamakura, Kanagawa, 247-0063 Japan #Ciphergen Biosystems Inc., 490 San Antonio Road, Palo Alto, CA 94306, USA)
  
  
• 5-6 Efficient Numerical Optimization Algorithm Based on Genetic Algorithm for Inverse Problem: Towards a System for the Inference of Large Scale Genetic Networks
  Yukihiro Maki*, Daisuke Tominaga*, Nobuto Koga*, Masahiro Okamoto*1, Shoji Watanabe**, and Yukihiro Eguchi** (*Dept. of Biochemical Engineering & Science, Kyushu Institute of Technology, Iizuka-city, Fukuoka 820-8502, Japan, **Research Institute, Mitsui Knowledge Industry Co., Ltd)
  
  
• 6-1 Development of the CBI Portal
  M. Tokunaga*1, M. Uebayashi*2, S. Miyazawa*3, T. Nakano*4, and T. Kaminuma*4 (*1AdIn Research, *2Nat'l Inst. of Bioscience and Human-Technology, *3Gunma Univ., *4NIHS)
  
  
• 6-2 CERS IV: Reconstruction System for C. elegans Development
  T. Kaminuma*1, T. Takai*1, M. Yukawa*1, K. Taki*2, R. Tachino*3, and T. Nakano*1 (*1NIHS, *2NVS Co.,*3 The Tokyo Metropolitan Institute of Medical Science)
  
  
• 6-3 Development of Homepage and Search Engine on Chemical Hazard Information
  Miyako Yamamoto, Takako Takai, and Tsuguchika Kaminuma (National Institute of Health Sciences)
  
  
• 6-4 GENIA Ontology and Information Extraction from Text
  San-zoo Lee, Tomoko Ohta, Yuka Tateisi, Nigel Collier, Hideki Mima, and Jun-ichi Tsujii (Grad. Sch. of Sci., Univ. of Tokyo)