ポスターセッション
討論時間 P2801〜P2847 奇数番号：7/28 17:00〜18:00

偶数番号：7/28 18:00〜19:00

P2801 Inventing in silico spot method (peptide tips for identify peptide epitope) by automatizationof Autodock3.0
1

2

Taiki KOJIMA , Katsuyoshi SAKAGUCHI(Aichi Cancer Center, Department of Gastroenterogical Surgery 1 KLIMERS, Laboratory of
Bioinformatics2)

P2802 Drug-resistant Mechanism of Human Immunodeficiency Virus Type-1 Protease- Investigation by Molecular Dynamics Simulation 1

1

1

2

1

Hirotaka OHDE , Masayuki HATA , Saburo NEYA , Wataru SUGIURA , Tyuji HOSHINO(Graduate School of Pharmaceutical Sciences, Chiba University 1, AIDS Research Center, National
Institute of Infectious Diseases2)

P2803 Modeling of Protein-Ligand Complexes Taking into Account the Induced Fit:
Conformational and Positional Refinements Using Brownian Dynamics
11

1

Noriyuki YAMAOTSU , Ryuichi KAKURAI , Shuichi HIRONO(School of Pharmaceutical Sciences, Kitasato University 1)

P2804 FCANAL: a structure based protein function prediction method. Application to enzyme
active sites and metal binding sites.
1

1

2

1

Ayumi SUZUKI , Tadashi ANDO , Satoru MIYAZAKI , Ichiro YAMATO

1(Department of Biological Science and Technology, Tokyo University of Science , Department ofPharmaceutical Sciences, Tokyo University of Science2)

P2805 Sievgene: Protein-ligand flexible docking program based on grid potential and geometrichashing1

1,2

Yoshifumi FUKUNISHI , Haruki NAKAMURA(Japan Biological Information Research Center (JBIRC), National Institute of Advanced Industrial
Science and Technology (AIST)1, Institute for Protein Research, Osaka University3)

P2806 Computational Chemistry Analysis on the Interaction of Drugs and Water Molecules
Sumihiro HONJO1, Hideyuki TSUBOI2, Michihisa KOYAMA1, Momoji KUBO1,3, Kazumi
NISHIJIMA2,4, Tetsuya TERASAKI2,5, and Akira MIYAMOTO1,2
123(Dept. Appl. Chem., Tohoku Univ. , NICHe, Tohoku Univ. , JST-PRESTO , MochidaPharmaceutical Co.4, Dept. Pharm., Tohoku Univ.5)- 1 -P2807 Computational Chemistry Apporach for the Prediction of Pharmacokinetics
1

1

1

1

Michihisa KOYAMA , Mohamed ISMAEL , Kosei SUGAWARA , Sumihiro HONJYOU , PEI
Qiang1, Hideyuki TSUBOI2, Momoji KUBO1,3, Kazumi NISHIJIMA2,4, Tetsuya TERASAKI2,5,
Akira MIYAMOTO2,1(Department of Applied Chemistry, Tohoku University1, New Industry Creation Hatchery Center,
Tohoku University2, PRESTO, Japan Science and Technology Agency3, Research & Development
Division, Mochida Pharmaceutical Co. Ltd.4, Graduate School of Pharmaceutical Sciences,
Tohoku University5)

P2808 Computational Chemical Study on Interactions among Lipid Bilayers, Proteins and Organic
Drug Molecules
1
2
1
1,3
PEI Qiang , Hideyuki TSUBOI , Michihisa KOYAMA , Momoji KUBO , Kazumi
NISHIJIMA2,4, Tetsuya TERASAKI2,5, Akira MIYAMOTO1,5(Department of Applied Chemistry, Tohoku University1, New Industry Creation Hatchery Center,
Tohoku University2, PRESTO, Japan Science and Technology Agency3, Research & Development
Division, Mochida Pharmaceutical Co. Ltd.4, Graduate School of Pharmaceutical Sciences,
Tohoku University5)

P2809 Conformational changes of the NADPH oxidase p47phox-p22phox complex:
A Computational Chemical Study
1

2

1

1,3

Yoko WATANABE , Hideyuki TSUBOI , Michihisa KOYAMA , Momoji KUBO , Eiichiro
ICHIISHI2, Masahiro KOHNO2, Akira MIYAMOTO1,2(Dept. Appl. Chem., Tohoku Univ.1, NICHe, Tohoku Univ.3, JST-PRESTO2)

P2810 A Consensus Approach for Identifying the Stabilizing Residues in (a/b)8 Barrel Proteins
M. Michael GROMIHA1,*, Gerard PUJADAS2, Csaba MAGYAR3, S. SELVARAJ4 and Istvan
SIMON3(1Computational Biology Research Center (CBRC), Institute of Advanced Industrial Science andTechnology (AIST), 2-43 Aomi Koto-ku Tokyo 135-0064 Japan, 2Departament de Bioquímica i
Biotecnologia, Universitat Rovira i Virgili Spain, 3Institute of Enzymology Biological ResearchCenter Budapest Hungary, 4Department of Physics Bharathidasan University Tiruchirapalli 620
024 India)- 2 -P2811 Development of A Cell-based Assay System for Screening Drug Candidates and Analyzing
Gene Functions
1

2

1

1

1

Takako SAKAMOTO , Arinobu TOJO , Jun NAKAYA , Akira SASAKI , Hideki TANUMA ,Shigetaka ASANO2, Tetsuo SHIMIZU1(Division of Medical Data Processing Network System1 and Division of Molecular therapy2,
Advanced Clinical Research Center, The Institute of Medical Science, The University of Tokyo)

P2812 High-throughput estimation of the initial DNA concentration using real-time PCR
Osamu GOTO1, Takashi NAKAJIMA2, Akira SUYAMA1(University of Tokyo1, NovusGene Inc.2)

P2813 Development of the Total System ʻToMoCoʼ for Molecular Design
Masamoto ARAKAWA1, Soichiro MIZOBUCHI2, Kimito FUNATSU1(The University of Tokyo1, Toyohashi University of Technology2)

P2814 “BioSerendip” A Support System for Bio Researches
Akira IIDA, Hideya UEHARA, Kouichi OHKUBO, Junji FUKUMOTO(SGI japan Ltd.)P2815 An auto-modeling program of carbohydrate chains: its development and application tomolecular dynamics simulations
Kenichi MORI, Masayuki HATA, Saburo NEYA, Tyuji HOSHINO(Graduate School of Pharmaceutical Sciences, Chiba University, Department of Physical
Chemistry)

P2816 Novel Mechanism of Site-specific Asparaginyl Racemization in Mouse Lysozyme
Keisuke UENO1, Hideki TAKEHARA2, Masahiro OKAMOTO1(Kyushu Univ., Grad. Sch. Biores. Bioenv. Sci.1, Fukuoka Int. Univ., Fac. Int. Commmun.2)

P2817 De novo peptide sequencing used by amino acid binding affinity for tandem mass
spectrometry1

2

1

Mitsuhiro KANAZAWA , Atsushi OGIWARA , Unpei NAGASHIMA(Department of Chemistry, Graduate School of Pure and Applied Sciences, University ofTsukuba1, Medical ProteoScope, Co. Ltd.2)- 3 -P2818 Stochastic Simulation method for reaction-diffusion systems and its application to mitogenactivated protein kinase cascade pathway
1

1

2

1

Ryuzo AZUMA , Yoshiki YAMAGUCHI , Tomoyuki YAMAMOTO , Akihiko KONAGAYA(Genomic Sciences Center, RIKEN1, School of Knowledge Science, JAIST2)

P2819 A Data-mining system for discovering drug-target proteins
Motoi TOBITA, Masashi NEMOTO, Ken HORIUCHI, Hiroyasu SHIMADA, and Tetsuo
NISHIKAWA(Informatics department, Reverse Proteomics Research Institute Co. Ltd.)

P2820 Theoretical study of PPAR gamma mutations in type 2 diabetes mellitus
1

2

3

2

Narutoshi KAMIYA , Takuma SHIRAKI , Takashi S. KODAMA , Hisato JINGAMI(Department of Computational Biology1, Molecular Biology2, Structural Biology3, BiomolecularEngineering Research Institute (BERI))

P2821 Assessment of somachlonal variation in Arabidopsis thaliana callus caused during subculturea)Yoshinori MURATA, Takahito WATANABE , Yuji FUKUDA, and Hitoshi IWAHASHIa)(International Patent Organism Depositary, AIST, Research Institute for Sustainable
Humanosphere (RISH), Kyoto University)

P2822 Sampling Methods on Microorganism Mutagenicity Prediction by Pattern Recognition
Kohtaro YUTA1, Katsuhiko SAWATARI2, Yoshifumi NAKANISHI2, Taijiro MATSUSHIMA3(Fujitsu Ltd. 1, National Institute of Industrial Health 2, Japan Bioassay Research Center 3)

P2823 The mathematical analysis of yeast Complex Complex Interactions
So NAKAGAWA, Yasuhiro SUZUKI, Soichi OGISHIMA, Takeshi HASE, Hiroshi TANAKA(Graduate School of Tokyo Medical and Dental University)

P2824 Latest Developments in ProNIT (Thermodynamic Database for Protein-Nucleic Acid
Interactions)M. D. Shaji KUMAR1, Ponraj PRABAKARAN2, Hatsuho UEDAIRA1, M. Michael GROMIHA3,
Kouji KITAJIMA1 and Akinori SARAI1(KIT, 680-4 Kawazu, Iizuka-shi, Fukuoka 820-85021, NIH, USA2, CBRC, AIST, 2-41-6 Aomi,
Koto-ku, Tokyo 135-00643)- 4 -P2825 Development and application of a molecular dynamics simulation system : prestoX
1

2

1

1

Yoshiaki MIKAMI , Yoshifumi FUKUNISHI , Ikuo FUKUDA , Jae Gil KIM , Yukihisa S
WATANABE1, Rie TATSUMI1, Masaru HORIE1, Haruki NAKAMURA3(Japan Biological Information Research Center (JBIRC), Japan Biological Informatics Consortium(JBIC)1, Biological Information Research Center (BIRC), National Institute of Advanced
Industrial Science and Technology (AIST)2, Institute for Protein Research, Osaka University3)

P2826 Outcome prediction from gene expression based Support Vector Machine
Chihoko TAGO, Taizo HANAI, Masahiro OKAMOTO(Laboratory for Bioinformatics, Graduate School of Systems Life Sciences, Kyushu University)

P2827 Identification of novel p53 target genes by the in-silico analysis
Reo MARUYAMA1,4, Minoru TOYOTA1,2, Hirofumi AKASHI1,3, Fumio AOKI3, Yasushi
SASAKI1,2, Hiroaki MITA1,2, Hideki KAKIUCHI4, Takashi TOKINO2, Kohzoh IMAI1(First Department of Internal Medicine 1, Department of Molecular Biology2, Information Center of34Computer Communication Sapporo Medical University , Jikeikai Hospital )P2828 The structure–activity relationship of P-glycoprotein
Hiroyuki HIRANO1, Yuko ONISHI1,2, Toshihisa ISHIKAWA2(GS platZ Co. Ltd.1, Tokyo Institute of Technology2)

P2829 The Unmasking of Putative Susceptivility Genes in Prostate Cancer Using Gene Expression
Analysis
1

2

3

4

Uyen T. NGUYEN , Ilya KUPERSHMIDT , Barrett P. EYNON , Anoop GREWAL , Akio
TANABE5
1(Silicon Genetics )P2830 Global gene expression profiles of pretreatment on freeze-thaw stress of yeast
Yuko MOMOSE1, Hitoshi IWAHASHI1(National Institute of Advanced Industrial Science and Technology (AIST)1)

P2831 Screening of CRP-binding DNA sequence using mutation matrices derived from systematic
single base-pair substitution experiments
1
2
3
2,4
Katsumi OMAGARI , Hidehisa YOSHIMURA , Mitunori TAKANO , Masayuki OHMORI ,Akinori SARAI5, Akira SUYMA1(Univ. of Tokyo1, Toho Univ.2, Waseda Univ.3, Saitama Univ.4, Kyushu Inst. Tech.5)- 5 -P2832 Molecular Docking of the Compounds Activate Like Ecdysis Hormone with its Receptor
Tadayoshi FUKUDA, Shinji TANIMORI, Mitsunori KIRIHATA(Department of Applied Biochemistry, Osaka Prefecture University)

P2833 Reconstructing Longitudinal Phylogenetic Tree of HIV-1 Protease Gene by inking Withinpatient Orthologous Viral Population under HAART
1

2

1

2

Naoki HASEGAWA , Wataru SUGIURA , Fengrong REN , Zene MATSUDA , Hiroshi
TANAKA1(1Department of Bioinfomatics, Biomedical Science PhD Program, Tokyo Medical and Dental
University. Tokyo, Japan. 2AIDS Research Center, National Institute of Infectious Diseases,
Tokyo, Japan)

P2834 Multiple Docking with Target Protein: A Novel Drug Design Strategy with Xsi
1

1

2

Kazuto YAMAZAKI , Masaharu KANAOKA , Yuichiro INAGAKI(Sumitomo Pharmaceuticals Co. Ltd.1, Fuji Research Institute Corporation 2)

P2835 Structural analyses of metabolic networks using GNU Octave
Jun OHTA1(Okayama University Graduate School of Medicine and Dentistry1)

P2836 High-Speed Screening and Structure-Activity Relationship Analysis for the Evaluation ofDrug-Drug Interactions of Human ABCG2 (BCRP)
1

1

1

2

2

Toshihisa ISHIKAWA , Hikaru SAITO , Yuko ONISHI , Keisuke OOSUMI , Takaaki FUKAMI ,Makoto NAGAKURA2, Shigeru TARUI3, and Hiroyuki HIRANO3(Tokyo Institute of Technology1, BioTec Co. Ltd.2, GS PlatZ Co. Ltd.3)

P2837 In silico Discovery of the Peroxisomal Proteome
Igor V. KUROCHKIN1, Takeshi NAGASHIMA1, Akihiko KONAGAYA2 and Christian
SCHÖNBACH1
1

2( Immunoinformatics Team, Bioinformatics Group, RIKEN Genomic Sciences Center,
Yokohama, Japan)- 6 -P2838 SPR assays for lead optimization in drug discovery
Robert KARLSSON1, Helena WIDEGREN1, Helena NORDIN1, Annie NASLUND1 and Asa
Frostell KARLSSON1, Issey OKAZAKI2, Setsuko HASHIMOTO2(Biacore AB1(Sweden), Biacore K.K.2)

P2839 Gene network analysis of mRNA expression pattern with interferon efficacy to hepatitis C
patient.
1,3

2

1

1

Akito DAIBA , Kazuhiro HAYASHIDA , Takako FURUYA , Satoru ITOU , Masafumi
YOHDA3(Japan Genome Solutions1, Sasebo Kyosai Hospital2, Tokyo University of Agriculture andTechnology3)

P2840 Validation and Improvement of Charge Equilibration Methods with Empirical Two-Center
Coulombic Terms
1

2

Akifumi ODA , Shuichi HIRONO(Toyama chemical Co. Ltd.1, School of Pharmaceutical Sciences, Kitasato University 2)

P2841 Conformation Estimation of Collagen Derived Oligopeptides by Tsallis Entropy adopted
Simulated Annealing
Hisaki NAKABAYASHI, Yuuichi TOKUDA, Koichi TAKAHASHI(Graduate School of Science and Technology, Kinki University)

P2842 Genome wide annotation of Thermus thermophilus HB8
Akinobu FUKUZAKI1,2, Takeshi NAGASHIMA1, Kaori IDE1,2, Fumikazu KONISHI1,2, Mariko
HATAKEYAMA1,2, Shigeyuki YOKOYAMA2,3,4, Seiki KURAMITSU2,5 and Akihiko
KONAGAYA1,2(1Bioinformatics G., RIKEN, GSC, 2RIKEN Harima Inst., 3Protein Res. G., RIKEN GSC, 4Grad.
Sch. Of Sci., Univ. of Tokyo. 5Grad. Sch. Of Sci., Osaka Univ.)

P2843 Development of a novel bioinformatics approach to selecting mucin-like proteins
Chikako NISHI-TAKAOKA1,2, Takahiro SHIMAMURA1, Shogo YAMAMOTO1, Yoshitaka
HIPPO1, Tatsunari NISHI1, and Hiroyuki ABURATANI1
1

2(RCAST, The Univ. of Tokyo , Ochanomizu Univ. )- 7 -P2844 A Theoretical Study on Octanal Recognition of the Olfactory Receptor Protein ORI7
1,2
3
1
1
Junko TAGUCHI , Sachiko AIDA-HYUGAJI , Kaori UENO-NOTO , Fumiko YOSHII , Keiko
TAKANO1(Ochanomizu University1, TAIHO Pharmaceutical Co. Ltd.2, Tokai University3)

P2845 A system evaluation of site scalability and throughput performance of homology search toolon grid1

1

Fumikazu KONISHI , Akihiko KONAGAYA(Bioinformatics Group, RIKEN Genomic Sciences Center1)

P2846 Analysis of the interaction of mannotriose with anti-HIV protein, Actinohivin
Masahide KUROSAKI1, Noriyuki YAMAOTSU1, Atsushi TAKAHASHI1, Junji INOKOSHI1,
Haruo TANAKA1, Satoshi OMURA2, Shuichi HIRONO1
1(School of Pharmaceutical Sciences, Kitasato University , Kitasato Institute for Life Sciences,
Kitasato University2)

P2847 Construction of Knowledge Library for analysis of microarray data in Arabidopsis thaliana
Yoshikazu HASEGAWA1, Motoaki SEKI2, Masakazu SATOU1, Tetsuya SAKURAI1, Kenji
AKIYAMA1, Kei IIDA3, Naoki OKAMOTO4, Katsura HIROSAWA1, Tetsuro TOYODA1, Kazuo
SHINOZAKI2, and Akihiko KONAGAYA5(Genomic Knowledge Base Research Team, GSC, RIKEN1, Plant Mutation Exploration Team,
GSC, RIKEN2, Faculty of Bio-Science, Nagahama Institute of Bio-Science and Technology3, NEC
Infomatec Systems Ltd.4, Bioinformatics Group, GSC, RIKEN5)

討論時間 P2901〜P2948 奇数番号：7/29 17:00〜18:00

偶数番号：7/29 18:00〜19:00

P2901 Classification of kinases using neural networks and physicochemical parameters of amino
acids
Tomoko NIWA
(Discovery Research Laboratories, Nippon Shinyaku Co. Ltd., t.niwa@po.nippon-shinyaku.co.jp)

P2902 Infrastructure Model for Protocol Management Support in Translational Research
Akira SASAKI, Jun NAKAYA, Tetsuo SHIMIZU(Institute of Medical Science, University of Tokyo)- 8 -P2903 STUDY ON A BINDING AFFINITY DIFFERENCE BETWEEN CHITINASE-ARGADINAND CHITINASE-ARGIFIN COMPLEXES USING MOLECULAR DYNAMICSSIMULATION
1

1

1

Yuichi YANAI , Hiroaki GOUDA , Shuichi HIRONO(School of Pharmaceutical Sciences, Kitasato University 1)

P2904 The ionic status of TPI in the active thymidine phosphorylase state
Yukio TADA1,Makoto NOMURA1, Shingo YANO1, Hideki KAZUNO1, Tutomu SATO1,
Masakazu FUKUSHIMA1, Tetsuji ASAO1(Hanno Research Center, Taiho Pharmaceutical Co. Ltd. 1)

P2905 Relations between self interaction proteins and evolutional conservation of densely
connected topologies in the protein-protein interaction network.
1
1
1,2
2
Takeshi HASE , Soichi OGISHIMA , Yasuhiro SUZUKI , So NAKAGAWA , Hiroshi
TANAKA1,2(Dept. of Bioinformatics Tokyo Medical and Dental University1, Dept. of Computational Biology
Graduate School of Tokyo Medical and Dental University2)

P2906 Molecular Dynamics Simulations of liganded and unliganded proteins
Noriaki OKIMOTO1, Takashi NAKAMURA2, Atsushi SUENAGA1, Noriyuki FUTATSUGI1,
Yoshinori HIRANO3, Makoto TAIJI1, Akihiko KONAGAYA1, Isamu YAMAGUCHI2, andToshikazu EBISUZAKI3(RIKEN, GSC1, RIKEN Plant Science Center2, RIKEN Wako3)

P2907 Computational Chemistry Study on Theophylline Metabolism with Different Tissues
Components
1
2
1
1,3
Mohamed ISMAEL , Hideyuki TSUBOI , Michihisa KOYAMA , Momoji KUBO , Kazumi
NISHIJIMA2,4, Tetsuya TERASAKI2,5, Akira MIYAMOTO1,2(Department of Applied Chemistry, Tohoku University1, New Industry Creation Hatchery Center,
Tohoku University2, JST-PRESTO3, Research & Development Division, Mochida Pharmaceutical
Co. Ltd.4, Graduate school of Pharmaceutical Sciences, Tohoku University 5)

P2908 Development of a simulation and analysis support system for molecule science
Takashi IKEDA1, Susumu HANDA1, Atsushi SENGOKU1, Eiju KANAZAWA2, Toshihiro
SAKUMA1, Toshikazu TAKADA3(NEC Infomatec system Ltd.1, Navie2, NEC Copporation3)- 9 -P2909 BioStation Dock: Application of protein-ligand docking to screen compounds (2)
1

1

3

2

2

Toshiyuki SATO , Kaori FUKUZAWA , Kozo AOKI , Katsuki AMEMIYA , Kazuo KOYANO ,Shinji AMARI3, Souichirou TANIMORI2, and Tatsuya NAKANO4(Fuji Research Institute Corporation 1, AdvanceSoft Corporation2, University of Tokyo3, andNational Institute of Health Sciences 4)

P2910 In Silico screening for Nuclear Receptor Target Genes
1

2

3

Yoshitomo TANAKA , Tsuguchika KAMINUMA , Kotoko NAKATA , Hiroshi TANAKA

4(Graduate school of Tokyo Medical and Dental University 1, Biodynamics Inc.2, National Instituteof Health Sciences3, Medical Research Institute, Tokyo Medical and Dental University 4)

P2911 Generation of novel equations for logP, solubility, pKa using a neural network
Kenji YAMAGISHI1, Sumie TAJIMA2, Toru YAGI2, Makoto HARAGUCHI2, Hiroaki
TOKIWA1, Umpei NAGASHIMA3(Rikkyo University1, Bestsystems INC.2, National Institute of Advanced Industrial Science andTechnology3)

P2913 E-pathfinder
Sayaka KAGEKAWA1, Jun NAKAYA2, Tetsuo SHIMIZU2(Fujitsu Advanced Solutions LTD. 1, Institute of Medical Science of the University of Tokyo 2)

P2914 Structural Analysis of the Binding Sites in the Protein-Protein Interaction
Tsuyoshi HAMADA, Kaori FUKUZAWA, Toshiyuki SATO
(Fuji Research Institute Corporation)

P2915 Molecular dynamics simulation of reaction mechanism of Estrogen Receptor
Yoshiro NAKATA and Yoko KANAZAWA(Department of Biophysics, Faculty of Engineering, Gunma University)

P2916 Investigation of species specificity in ligand-dependent PPARa activation using molecularmodeling approach
Hideharu UCHIKI(Discovery Research Laboratories, Kyorin Pharmaceutical Co. Ltd.)- 10 -

P2917 Development of Pharmacokinetic Simulator based on Three-Dimensional Graphics
1
1
1
1,3
Kotaro OKUSHI , Hideyuki TSUBOI , Michihisa KOYAMA , Momoji KUBO , Kazumi
NISHIJIMA2,4, Tetsuya TERASAKI2,5, Akira MIYAMOTO1,4(Department of Applied Chemistry, Tohoku University1, New Industry Creation Hatchery Center,
Tohoku University2, PRESTO, Japan Science and Technology Agency3, Research & Development
Division, Mochida Pharmaceutical Co. Ltd.4, Graduate School of Pharmaceutical Sciences,
Tohoku University5)

P2918 In silico screening for endogenous surrogate compounds interacting with a GPCR
Takeshi HIRAMOTO1, Yosuke NONAKA1, Kazuko INOUE1, Mariko OMATSU-KANBE2,
Hiroshi MATSUURA2, Keigo GOHDA3, and Norihisa FUJITA1(1Ritsumeikan University, 2Shiga University of Medical Science, 3CAMM-Kansai)

P2920 Biomarker detection and disease classification alogorithm using SELDI-TOF-MS
Kaoru MOGUSHI1, Fumio NOMURA2, Hiroshi TANAKA1(Department of Bioinformatics, Tokyo Medical and Dental University1, Department of MolecularDiagnosis, Chiba University2)

P2921 Feature extraction of gene expression onset time for cluster analysis
Kazumi HAKAMADA1, Taizo HANAI1, Masahiro OKAMOTO1(Laboratory for Bioinformatics, Graduate School of Systems Life Science, Kyushu University 1)

P2923 Microarray Data Analysis Using Fuzzy K-means Clustering
Chinatsu ARIMA, Taizo HANAI, Masahiro OKAMOTO(Laboratory for Bioinformatics, Graduate School of Systems Life Sciences,
Kyushu University)

P2924 Structural analysis by molecular dynamics simulations: Protein-protein interactions of RasRaf and Ras-RalGDS complexes
1

2

1

1

Noriyuki FUTATSUGI , Mikako SHIROUZU , Atsushi SUENAGA , Noriaki OKIMOTO , Tetsu
NARUMI1, Toshikazu EBISUZAKI3, Shigeyuki YOKOYAMA2, Makoto TAIJI1, Akihiko
KONAGAYA1(Bioinformatics Group, RIKEN Genomic Sciences Center1, Protein Research Group, RIKEN
Genomic Sciences Center2, Ebisuzaki Computational Astrophysics Laboratory, RIKEN3)- 11 -

P2925 Profiling of Genome-wide expression under hydrostatic pressure stress in the yeast
Saccharomyces cerevisiae
Hisayo SHIMIZU, Hitoshi IWAHASHI(National Institute of Advanced Industrial Science and Technology International Patent Organism
Depositary)

P2926 QSAR Analysis of Human Placental Drug Transport
Yuki HIBINO, Takashi FUJIWARA, Shinichi KOBAYASHI, Kumiko SAKAMOTO, Masaru
KIHARA, Aiko YAMAUCHI, Hiroshi CHUMAN(Graduate School of Pharmaceutical Sciences, The University of Tokushima)

P2927 Microarray cluster analysis of Saccharomyces cerevisiae gene expression under different
chemicals stress conditions
Yoshiteru SUZUKI, KIM Hyun-Ju, Yuko MOMOSE, Hitoshi IWAHASHI(National Institute of Advanced Industrial Science and Technology (AIST))P2928 Janus-type Go model: toward a theory for the kinetic control of protein functions
Hironori K. NAKAMURA1,2, Mitsunori TAKANO1(Dept. of Phys., Sch. of Sci. & Eng., Waseda Univ.1, ACT-JST, JST2)

P2929 Construction of the XML Database of the Pharmaceutical Reference
Masaki HAMADA, Shinya TAKIGUCHI, Mamoru HIROTA, Kaori KURATA, Akira DOBASHI(Tokyo University of Pharmacy and Life Science)

P2930 Xsi – An integrated system for drug discovery
1

1

2

2

Yuichiro INAGAKI , Michiaki HAMADA , Kazuto YAMAZAKI , Masaharu KANAOKA ,Hiroshi CHUMAN3(Fuji Research Institute Corporation 1, Sumitomo Pharmaceuticals Co. Ltd.2, Tokushima

P2931 Reaction mechanism of biodegradable plastics degrading enzyme
Yoshitake SAKAE1, Misako AIDA1, Hidemasa KONDOU2, Kazuo MASAKI3, Haruyuki IEFUJI3(Hiroshima University-Center for Quantum Life Sciences1, National Institute of Advanced
Industrial Science and Technology2, National Research Institute of Brewing3)

P2932 A New Approach to Drug Molecular Design based on Neural Network Analysis andMolecular Orbital Calculation : Molecular Modeling to Circumvent Cancer Drug Resistance
Associated with ABCG2- 12 -

1

2

2

3

Sachiko AIDA-HYUGAJI , Jumma NOMURA , Minoru SAKURAI , Daisuke TOKUSHIMA ,Toshikazu TAKADA3, Umpei NAGASHIMA4 and Toshihisa ISHIKAWA2(Tokai University1, Tokyo Institute of Technology2, NEC Corporation3, National Institute ofAdvanced Industrial Science and Technology4)

P2933 Implementation of MP2-correlation engine into ABINIT-MP/FMO program andemonstrative applications
1,2

3

2

1

Yuji MOCHIZUKI , Tatsuya NAKANO , Shigeru KOIKEGAMI , Shinji AMARI , Kazuo
KITAURA4(Institute for Industrial Science, The University of Tokyo1, Advancesoft2, National Institute of
Health Science3, National Institute for Advanced Industrial Science and Technology4)

P2934 Computer-aided rational molecular design of a new chitinase inhibitor
Hiroaki GOUDA1, Yusuke SAKOH1, Shuichi HIRONO1(School of Pharmaceutical Sciences, Kitasato University)

P2935 FREP: a system for inferring of functional repeats
Takeshi NAGASHIMA1, Christian SCHÖNBACH1, Igor V. KUROCHKIN1, Akihiko
KONAGAYA2(1Immunoinformatics Team, 2Bioinformatics Group, RIKEN Genomic Sciences Center,
Yokohama, Japan)

P2936 SOLUTION STRUCTURE OF HUMAN SERUM ALBUMIN OBTAINED FROM
MOLECULAR DYNAMICS SIMULATION
Taku FUJIMOTO, Yasuo MATSUSHITA, Hiroaki GOUDA, Shuichi HIRONO(School of Pharmaceutical Sciences, Kitasato University)

P2937 Development of a potal for drug discovery
122

Tsuguchika KAMINUMA , Masumi YUKAWA , Naomi KOMIYAMA(Center for Quantum Life Sciences, Hiroshima University1, Chem-Bio Informatics Society2)

P2938 MOLDA QuLiS: Development of Molecular Modeling Program for Structure-based Drug
Design1

1,2

3

Hiroshi YOSHIDA , Toshimitsu FURUCHI , Fumiyuki SHIRAI(Hiroshima University1, MAXNET Co. Ltd.2, Fujisawa Pharmaceutical Co. Ltd.3)- 13 -

P2939 Catalytic Roles of Active-Site Amino Acid Residues of Coenzyme B 12-Dependent Diol
Dehydratase: A Quantum Mechanical/Molecular Mechanical (QM/MM) Study
Takashi KAMACHI1, Tetsuo TORAYA2, Kazunari YOSHIZAWA1(Institute for Materials Chemistry and Engineering, Kyushu University1, Department of Bioscienceand Biotechnology, Okayama University2)

P2940 Theoretical study of methane hydroxylation by methane monooxygenase
Kazunari YOSHIZAWA, Takashi YUMURA(Institute for Materials Chemistry and Engineering, Kyushu University)

P2941 QM/MM Study of the Mononuclear Non-heme Iron Active Site of Phenylalanine
Hydroxylase
Yoshihito SHIOTA, Kazunari YOSHIZAWA(Institute for Materials Chemistry and Engineering, Kyusyu University)

P2942 Novel screening method for functional nucleotide and its motif extraction
Ryoichi ASAI1, Taishin KIN1, Shin I. NISHIMURA2, Katsutoshi TAKAHASHI1
1(Computational Biology Research Center, AIST , Graduate School of Information Science,
Nagoya Univ.2)

P2943 Analysis of Ternary Structures Constructed by Protein Modeling Tool, PDFAMS Pro+
Katsuichiro KOMATSU 1, Kinji FUCHIKAMI1, Akira IIDA2, Koichi OOKUBO2, Takayuki
KONYA2, Toshio TSUCHIYA2, Junji FUKUMOTO 2, Mitsuo IWADATE3, Mayuko TAKEDASHITAKA3, Hideaki UMEYAMA3
1

2

3(In-Silico Sciences Inc. , SGI Japan, Ltd. , Kitasato University )P2944 Molecular Recognition System in Pheromone-Pheromone Binding Protein Complex
Analyzed by FMO method: Structure Optimization of Ligand and Its Binding Pocket.
Tadashi NEMOTO, Dimtri G. FEDOROV, Yuto KOMEIJI, Kenji KANAZAWA, Masami
UEBAYASI, and Kazuo KITAURA(National Institute of Advanced Industrial Science and Technology (AIST))P2945 Drug Target Database based on Therapeutic Classification
Kotoko NAKATA1, Masahiro AIZAWA2, Junwei ZHANG2, Shinji AMARI2, Jyunpei
KOMIYAMA3, Yoshio IWASAWA4, Tatsuya NAKANO1- 14 -

1

2

3(National Inst. of Health Sciences , Inst. of Industrial Science, Univ. of Tokyo , Univ. of Tokyo ,AdvanceSoft Co.4)

P2947 HIGH-THROUGHPUT SCREENING SYSTEM OF PROTEIN CRYSTALLIZATIONCONDITIONS USING MICROFLUIDIC REACTOR ARRAY
Masumi YAMADA1, Tetsu ISOMURA2, Chizuko SASAKI2,3, Yasuyuki MISAKE3, Michiteru
NISHINO4, Shigetoshi SUGIO2, and Minoru SEKI5(Department of Chemistry and Biotechnology, School of Engineering, The University of Tokyo,
Japan1, Zoegene Corporation, Japan2, Mitsubishi Chemical Group Science and Technology
Research Center, Inc., Japan3, Mitsubishi Chemical Engineering Corporation, Japan 4, Departmentof Chemical Engineering, Graduate School of Engineering, Osaka Prefecture University, Japan5)

P2948 Toward an Automatic Extraction of the Drug Interaction-related Expressions
Junko HOSAKA, Sumi YOSHIKAWA, Kazumi MATSUMURA, Akihiko KONAGAYA(RIKEN Genomic Sciences Center)- 15 -