CBIポスター一覧表◆ポスターID番号の見方(Poster ID number)◆ポスター発表（掲示）場所(Poster Presentation:Place)（ポスター番号：Poster ID）（ポスター台番号：Poster board number）

CBIーPXーXX
1 ～100 ：３F ﾚｾﾌﾟｼｮﾝﾎｰﾙ(Recept.
Hall)
↑
↑
101～142 ： ４F ４０３会議室
分野(Area) 個別番号(ID number) 143～160 ： ４F ラウンジ (Lounge)

3F Recept.

4F 403
4F Lounge◆発表日時 (Duty Time)
奇数 ポスター台番号： 8日12:00-14:00 (Poster board number -Odd# November 8th)
偶数 ポスター台番号： 9日12:00-14:00 (Poster board number -Even# November 9th)

ポスター番号（Poster ID)

題目（Title）

ポスター台番号(下線：偶数)（Posterboard No.）

FMO-based higher-order correlated calculations

2

Recent advances in the FMO-MD method5

著者 （Authors)

Yuji Mochizuki, Katsumi Yamashita,
CBI-P1-1 Kaori Fukuzawa, Tatsuya Nakano,
Yoshio Okiyama and Shigenori Tanaka
CBI-P1-2

Yuto Komeiji, Yuji Mochizuki, Tatsuya
Nakano and Hirotoshi Mori

Specific interactions between urokinase-type
CBI-P1-3 Tomoyo Kasumi and Noriyuki Kurita

plasminogen activator and its receptor: fragment

9

molecular orbital calculations
Satoshi Sawamura, Satoshi Miyagi,
CBI-P1-4 Kazuya Sashino, Mitsuko IshiharaSugano, Satoshi Itoh and Noriyuki Kurita
CBI-P1-5

Yuji Koseki, Tomohiro Kinjo andShunsuke Aoki

CBI-P1-6 Yoichiro Yagi and Yoshinobu Naoshima
CBI-P1-7

Effect of amino-acid mutation on specificinteractions between AhR and dioxin: fragment
molecular orbital calculations and reporter gene
assay
Aberrant structure of Parkinson&apos;s diseaseassociated Ubiquitin C-terminal hydrolase L1
Electronic State Calculation toward Sweet-

Akihiro Iwasa, Yoichiro Yagi andYoshinobu Naoshima

Evaluating the Drug Effects of HIV-1 Protease

Yosuke Moriya, Yoichiro Yagi, Atsushi

Large-Scale Biomolecular Computations toward
the Prediction of Burkholderia cepacia Lipase

Kamezawa and Yoshinobu Naoshima

Enantioselectivity

Yoshiaki Tanida, Takashi Mitsui, Azuma

A New Practical Approach to Estimate theCBI-P1-9 Matsuura, Chioko Kaneta and Shunji
Matsumoto
Noriaki Okimoto, Yoshinori Hirano,
CBI-P1-10 Takao Otsuka, Gentaro Morimoto,
Shigeo Fujita and Makoto Taiji

13

predicted by molecular dynamics
Tasting Proteins
Biomolecular Quantum Chemical Calculations for

CBI-P1-8 Imagawa, Takatomo Kimura, Makoto

10Standard Free Energy in Noncovalent Binding for19202127

Drug Design
Computational analysis of G9a-inhibitor
interactions

130ポスター番号（Poster ID)

CBI-P1-11

CBI-P1-12

著者 （Authors)

Osamu Ichihara, Michelle Szeto,
Alexander Heifetz and Richard Law

題目（Title）

Characterizing binding site water molecules
using SZMAP, MD and FMO QM methods for
Renormalization Molecular Dynamics for Micro

Zhiwei Luo
Kaori Fukuzawa, Yuji Mochizuki, Hiroki

Fluid Analysis
Fragment molecular orbital study for interaction

Tanaka and Tatsuya Nakano

31

rational drug design

Yumi Kashihara, Akinori Nagano andCBI-P1-13 Mibe, Chiduru Watanabe, Shigenori

ポスター台
番号(下線：偶数)（Posterboard No.）

between influenza virus neuraminidase and40
44

antiviral drug

Chiduru Watanabe, Kaori Fukuzawa,
Yoshio Okiyama, Yuji Mochizuki,
CBI-P1-14 Takayuki Tsukamoto, Katsumi
Yamashita, Nobuaki Morita, Shigenori

New fragmentation of Fragment Molecular Orbital
Method applicable to Fragment Based Drug

58

DesignTanaka and Tatsuya Nakano
Kazuya Sashino, Satoshi Sawamura,
CBI-P1-15 Satoshi Miyagi, Mitsuko Ishihara-Specific interactions between AhR and ligand: abinitio molecular simulation and biological60Sugano, Satoshi Itoh and Noriyuki Kurita experiment
CBI-P1-16

Hiromitsu Shimoyama, Genki Terashi
and Mayuko Takeda-Shitaka
Mitsuhito Wada, Eiji Kanamori, Tadaaki

CBI-P1-17 Mashimo, Yoshifumi Fukunishi andHaruki Nakamura

Covalent Docking of cyanopyrrolidines to DPP-4

61

Integrated In-Silico Drug Screening System for
G-Protein-Coupled Receptors by Using Universal

63

Active Probes

Jiro Shimada, Hiroaki Fukunishi,
Yoshifumi Fukunishi, Hirotaka Yagi,

Roles of mutations in P450s catalyzing vitamin

CBI-P1-18 Hiroshi Isobe, Mitsutaka Okumura,D3 hydroxylation: Classical MD and quantum

Kizashi Yamaguchi, Hiroki Kaneko and65

mechanical calculations

Kenichi Kamijo
Differences in hydration between cis- and transCBI-P1-19

Hirotoshi Mori, Natsumi Hirayama, Yuto

platin: Quantum insights by ab initio fragment

Komeiji and Yuji Mochizuki

molecular orbital-based molecular dynamics

68(FMO-MD)
CBI-P1-20

Miki Nakano, Kuniyoshi Ebina andShigenori Tanaka
Shinichi Yoshida, Dai Murata, Shunichi

CBI-P1-21

Taira, Keita Iguchi, Masayuki Takano,
Yoshiyuki Nakano and Kazunobu
MinakuchiTakayuki Tsukamoto, Watanabe Naoki,

CBI-P1-22 Kaori Fukuzawa, Yuji Mochizuki andTatsuya Nakano
CBI-P1-23

Yoshio Okiyama, Tatsuya Nakano, Yuji
Mochizuki and Shigenori Tanaka

Aggregation mechanism of polyglutamine
peptides in water by replica exchange molecular71

dynamics simulations
Rational design and engineering of protein A to
obtain the controlled elution profile in monoclonal

73

antibody purification
Partial geometry optimization based on the FMOMP2 gradient: Test application to a small protein

76

Trp-cage
Fragment molecular orbital calculation withsolvation effect based on Poisson-Boltzmannequation

281

ポスター番号（Poster ID)

著者 （Authors)

CBI-P1-24 Shunsuke Mieda and Misako Aida
CBI-P1-25

Naruyuki Morioka, Seiji Hitaoka,

題目（Title）

Dipole-dipole interaction between methylated
cytosine and amino acid residue model
Computational Assessments of Binding Affinity of

Tatsusada Yoshida and Hiroshi Chuman Drugs in Clinical Use ? Carbonic Anhydrase IIInhibitors
Interpretation on Structural Transformation of
Kaoru Aibara, Takuya Sugimoto,
CBI-P1-26
BACE-1 Inhibitors Using Fragment Molecular
Tatsusada Yoshida and Hiroshi ChumanOrbital Calculations
Miho Shimizu, Kazunori Shimamoto,
CBI-P1-27 Akira Mashima, Takuya Sugimoto,ポスター台
番号(下線：偶数)（Posterboard No.）

83
85

86

Linear Expression by Representative Energy
Terms Analysis on Hydrolysis of a Series of88

Tatsusada Yoshida and Hiroshi Chuman Substituted Phenyl Hippurates by Papain
Kyoko Yamauchi, Miho Shimizu, Kaoru
CBI-P1-28 Aibara, Tatsusada Yoshida and Hiroshi
ChumanSeiji Hitaoka, Hiroshi Matoba, Masataka
CBI-P1-29Harada, Akihiro Kawano, Syuhei
Sakamoto, Kohei Okada, Tatsusada
Yoshida and Hiroshi Chuman

Molecular Calculations on Complexes of DHFR
with Substituted Triazines

89

Linear Expression by Representative Energy
Terms Analysis on Binding Affinity of Sialic AcidAnalogues with Influenza Virus Neuraminidase-1

90- Why Does Tamiflu Have a Branched Alkoxy
Side Chain? -Hiroshi Matoba, Seiji Hitaoka, MasatakaHarada, Akihiro Kawano, Syuhei
CBI-P1-30 Sakamoto, Kohei Okada, Tatsusada
Yoshida, Daisuke Tsuji, Takatsugu
CBI-P1-31

Difference in Sensitivity of Antiinfluenza Drugs
between Human and Influenza NeuraminidasesHirokawa, Kohji Itoh and Hiroshi Chuman
Ryoichi Kataoka, Kinya Toda, Junichi
In situ prototropic tautomerization/Ionization in
Goto and Noriaki Hirayama

Docking Simulation

107

126

Junya Yamagishi, Noriaki Okimoto,
CBI-P1-32 Atsushi Suenaga, Mariko Okada, Akira

Computer-aided small peptide design

146

Imamoto and Makoto Taiji
CBI-P1-33 Keiko Shinoda and Hideaki Fujitani

Solution structure of the loop region between FnIII domains: Molecular dynamics simulation

158

A Shape vector method for describing the Ligand
CBI-P2-1 Toshio Ishikawa

Binding Sites and its application to Clustering
Homologous Proteins and Molecular Dynamics

4Trajectories
CBI-P2-2 Akifumi Oda and Ohgi Takahashi
CBI-P2-3
CBI-P2-4

Pareto optimal consensus score for evaluationsof protein-ligand complex structures

Ken-Ichi Fujimura and Yoshimasa

The Role of Fluorine Atoms in a FluorinatedSasabuchi

Prostaglandin Agonist

Yasuha Tanaka, Takako Takai-Igarashi, Classification of Steroid Binding Proteins Based
Hiroshi Tanaka and Kei YuraJunichi Iwakiri, Hiroki Tateishi, Anirban

CBI-P2-5 Chakraborty, Prakash Patil and NaoyaKenmochi

on Residual Propensity in Molecular Interaction
Roles of protein surface shape and RNA
secondary structure in protein-RNA recognition

37161746

ポスター番号（Poster ID)

CBI-P2-6

CBI-P2-7

著者 （Authors)

題目（Title）

Yoshinori Hirano, Noriaki Okimoto,Development of PHABLE -A resource of in silico

Gentaro Morimoto and Makoto Taiji

ligand-protein interactions-

Akihiro Kobe, Jose Caaveiro and Kohei
Tsumotoポスター台
番号(下線：偶数)（Posterboard No.）

51

Protein-Ligand Interactions in the Hydrophobic
pocket of an Enzyme Studied with a Fragment

75

Library
Mio Okamoto, Masato Kikkawa, Tomoya Advancing Fragment-Based Drug Discovery withCBI-P2-8 Mitani, Jose M. M. Caaveiro and Kouhei
TsumotoCBI-P2-9

CBI-P2-10

Noriaki Hirayama, Masatake Oikawa andHideto Isogai
Yukio Tada, Masami Uebayasi, Dmitri
Fedorov and Kazuo Kitaura
Hirokazu Nishimura, Shogo Inamine,

CBI-P2-11 Ayami Matsushima, Takeru Nose andCBI-P2-12

DP5 and an immunodominant peptide derived
Interaction Energy between Thymidine
Phosphorylase and its Inhibitor by Fragment
Nociceptin ORL1 Receptor Activation Requires
Functionally Indefinite Receptor Amino Acid

Yasuyuki Shimohigashi

Induce Best Fittings for Receptor Activation

Kouichirou Tsuruta, Yuya Izumizono,
Shiho Arevalo and Shunsuke Aoki
Kenichiro Imai, Kentaro Tomii, Noriyuki
Sakiyama, Takashi Makiuchi, Yoshitaka
Murakami, Tomoyoshi Nozaki and Paul
HortonDaisuke Takaya, Tomohiro Sato, Hitomi

CBI-P3-3 Yuki, Shunta Sasaki, Akiko Tanaka,

116

Molecular Orbital (FMO) Method

Regional Ligand-Receptor CH/π Interactions

CBI-P2-14 Yasuyuki Fujii and Hiromi Kumon

110

from the major Japanese cedar pollen allergens

Ayami Matsushima, Xiaohui Liu andand Kouhei Tsumoto

CBI-P3-2

Prediction of the binding mode between HLA-Residues

CBI-P2-13 Martinez Caaveiro, Yoshikazu Tanaka

77Analysis.

Yasuyuki Shimohigashi

Takamitsu Miyafusa, Jose Manuel

CBI-P3-1

Efficient Use of Thermodynamic and Kinetic

Structural and functional analysis of bifunctional
enzyme CapF
Evaluation of prediction methods of Proteinprotein binding affinity

119

120

145

154

Identification of novel chemical inhibitors forangiogenic growth factors by in silico structure-

12

based drug screening
Sequence Analysis-based Survey of Novel
Mitosomal beta-barrel Outer Membrane Proteins53

in E. histolytica
Prediction of Induced Fit Residues using
Machine Learning Based on Amino Acid

84

Shigeyuki Yokoyama and Teruki Honma Sequences and 3D Environmental Properties
A Novel Over-Sampling Method and its
CBI-P3-4 Dang Xuan Tho and Kenji Satou

Application to Cancer Classification from Gene

102

Expression Data
CBI-P3-5

Thammakorn Saethang, Ingorn Kimkong
and Kenji Satou

CBI-P3-6 Vu Anh Tran and Kenji Satou
CBI-P3-7

Quantitative HLA-Peptide Binding Prediction
Using Amino Acid Pairwise Contact Potentialsand HLA-Peptide Contact Site Information
Predicting the Clam Yield in Ben Tre from
Environmental Data

Yuji Kawakami, Satoshi Fujii and Akinori Integration of Structural and Biochemical
Sarai

103

Information into Protein Interaction Network4109118

ポスター番号（Poster ID)

著者 （Authors)

題目（Title）

ポスター台番号(下線：偶数)（Posterboard No.）

BioResource Proposer: the mouse biological
CBI-P3-8 Kazunori Waki and Hiroshi Masuya

resource annotation database

121

using KEGG MEDICUS and ontologies
Chlorophyll a fluorescence induction kinetics
CBI-P3-9 Takeshi Matsuoka and Kuniyoshi Ebina

based on a model describing excited-energy,electron, and proton transfers in photosynthetic

125

reactions
CBI-P3-10

CBI-P3-11

CBI-P3-12

Akira Shiraishi, Satoshi Niijima andYasushi Okuno
Yoshiki Koizumi, Tsuyoshi Hirashima andYoh Iwasa
Katsuhiko Murakami and Tadashi
Imanishi

Chemical genomics analysis ofpolypharmacological networks between

131

endogenous ligands and GPCRs
Role of Delta-Notch lateral inhibition in Tip cellselection of tracheal branching morphogenesis of137

Drosophila
Information Richness in Gene Annotation
Revealed by Correlation Between Annotations in151a Gene Database

Naoyuki Masuda, Shuto Ishitobi, Linyu
CBI-P3-13 Sun, Hitoshi Goto, Takuyo Aita andFast Blind Docking of Peptide to Protein

159

Kouichi Nishigaki
Ken-Ichi Ishikawa, Atsuko Ishikawa,
CBI-P4-1 Yoshimi Shoji, Kaori Imadome, Mayumi
Fujita and Takashi Imai

Integrative Analysis of Radio-responsive GeneExpression in Irradiated Cell

41

Hitoshi Suzuki, Nor Hakimah Ab Hakim,
CBI-P4-2

Ken Osaki, Ayumu Sugiyama, Yuichiro

Exon Array Analysis during Neural Differentiation

Nakamura, Kozo Kawahara, Hieu Chiand Ontology Analysis of Alternative Exons105

Dam and Toshifumi Tsukahara
CBI-P4-3

CBI-P4-4

CBI-P4-5

CBI-P4-6
CBI-P4-7

Sufeiya Subati, Mogushi Kaoru andIdentification of genes and pathways involved inTanaka Hiroshi

DNA methylation in hepatocellular carcinoma

Tomokazu Konishi and Akihiko
Konagaya
Reo Maruyama, Eiichiro Yamamoto andHiromu Suzuki

Component Analysis, and Noise of Microarray
Comprehensive analysis of histone H3K27me3
modification patterns in various human ChIP-Seq

YeastKen Osaki, Atsushi Midorikawa, Tetsuya In-House Database Application For Microarray /and Hiroyuki Toh

122samples
Analysis of Transcriptional Regulation Network ofWataru Nemoto, Yoshihiro Yamanishi

113

and RNA-seq Data.

Akinori Sarai

CBI-P4-8 Ryu Ogawa and Masaru Tomita
CBI-P5-1

Normalization, Multiplicity of Tests, Principal

Kazumasa Yada, Satoshi Fujii andTakasaki and Kozo Kawahara

108

Next Generation Sequence Data Analysis
Genome-wide analysis of histone modification
patterns in humanComputational analysis of GPCR oligomerization

5127
128
14923

ポスター番号（Poster ID)

CBI-P5-2
CBI-P5-3

著者 （Authors)

Akihiko Konagaya, Yasunori Aoki, Ken

An Inverse Problem Approach toHayami and Hans De Sterck

Pharmacokinetic Models

Masahiro Yasunaga, Shino Manabe and New drug concept of cytotoxic immunoconjugate
Yasuhiro Matsumura

Isao Yasumatsu, Takehiro Hirai, Chisa
CBI-P5-4 Wada, Shinichi Katakura and Hiroyuki

CBI-P5-5
CBI-P5-6

題目（Title）

for stroma-rich solid tumor
structure based drug design of protein kinase
inhibitors

Hajime Sugiyama, Mitsuhito Wada andKnowledge-Based Energy Functions for VirtualNobue Adachi

Screening

Mihoko Usui, Yuumi Yoshida, Takashi

Estimation of the Diffusion Coefficients of Sugars

Shin and Shuichi Miyamotousing Molecular Modeling

Tomohiro Kinjo, Yuji Koseki, Atsumi
Identification of novel antibacterial chemical
CBI-P5-7 Yamada, Yuya Izumizono, Shiho Arevalo agents for Mycobacterium by in silico structure-

CBI-P5-8

Takatsugu Hirokawa, Michiko Hirata,
Masaki Inada, Chisato Miyaura andKazuo Nagasawa

CBI-P5-9

Shunta Sasaki, Yuki Hitomi and Teruki
Honma
Yoshiro Nakata, Tsuguchica Kaminuma,

CBI-P5-10 Masami Uebayashi, Yukio Tada, Akihoko
Konagaya and Hiroshi Tanaka
Atsushi Midorikawa, Tetsuya Takasaki,
CBI-P5-11 Toshiro Kimura, Ken Osaki and Kozo
Kawahara

25
29

KinaseScope-database and programs forHanzawaand Shunsuke Aoki
Yu Nagai, Junko Abe, Rui Higashikuni,

ポスター台
番号
(下線：偶数)（Posterboard No.）

34

62
64

66

based drug screening
Design and Synthesis of C2-N-Substituted
Vitamin D3 Derivatives: Evaluation of Their

87

Transcriptional Activity
Development of Substituent Conversion
Database and Searching System Based on94

ChEMBLdb for Medicinal Chemists
Building "The CADU Platform" andComputational Chemistry Coursed on it
Expandable Knowledge meets Drug Designtechnologies

104

117

Tsuguchika Kaminuma, Kohtaro Yuta,
CBI-P5-12

Johji Miwa, Satsuki Miwa, Masumi

Organizing a Computational Toxicology

Yukawa, Naomi Komiyama, Ayako S.

Community in Japan

132

Takei and Tatsuya Nakano
Masumi Yukawa, Naomi Komiyama,
CBI-P5-13 Tsuguchika Kaminuma, Soichi Ogishima
and Hiroshi Tanaka

A Genome-Omics-Pathway/Network Portal to
Drug Discovery

135

Takehiro Hirai, Naoki Kiyosawa, Koichi
CBI-P5-14

Tazaki, Masatoshi Nishimura, Takashi

Practical use of open-source software for aYamoto, Sunao Manabe, Atsushi

toxicogenomics data analysis system

160

Sanbuissho, Taro Tokui and Yuichi Kubo
CBI-P6-1 Taiki Kojima
Mitsuhiro Kudo, Ayumu Saito, Masao
CBI-P6-2 Nagasaki, Satoru Miyano and Zenya
Naito

IgE binding peptide that interferes seasonalallergic rhinitis through nasal administration

3

Modeling and Simulation Analysis of Insulin
Secretory Functions of Pancreatic β-cells Using
Cell Illustrator Software614

ポスター番号（Poster ID)

CBI-P6-3

著者 （Authors)

Hiromasa Kato, Bai Lun and Hideaki

Research on blood stream wave motion ofMorikawa

microcirculation

Kenji Miura, Yutaka Takaoka, Naoya
CBI-P6-4 Hatano, Hirotaka Sato, Tsuyoshi Oda,Aki Sugano, Mika Ohta and Eiichi Maeda
CBI-P6-5

題目（Title）

Tadaaki Katsuda, Soichi Ogishima andHiroshi Tanaka
Soichi Ogishima, Masataka Kikuchi,

CBI-P6-6 Akinori Miyashita, Ryozo Kuwano andHiroshi Tanaka

Hemopexin may be a key molecule for TTR
Amyloidogenesis

ポスター台番号(下線：偶数)（Posterboard No.）

3338

EMT stage-specific genes and their generegulatory network in TGF-beta treated lung80

adenocarcinoma cells
Network-based inference of signature genes ofAlzheimer’s disease as an attractor of disease136

stateRisa Iijima, Satoshi Mizuno, Soichi
Ogishima, Masataka Kikuchi, Yukiko
CBI-P6-7 Matsuoka, Samik Ghosh, Akinori
Myashita, Ryozo Kuwano, Hiroshi

AlzPathway: a comprehensive pathway map forboth discovering risk candidate genes and138

revealing mechanism of Alzheimer’s disease

Tanaka and Tadashi Miyamoto
CBI-P6-8

CBI-P7-1

Masataka Kikuchi, Soichi Ogishima andHiroshi Tanaka

Network analysis of gene expressions dynamics
along with the progression of Alzheimer’s152

diseaseMichiko Yoshii, Eriko Kumamoto, Yukari

The database for analyzing drug incompatibility

Sakan and Koichiro Ozawa

and instability by mixing of injection drugs.

28

Higher order vector approximation using Walsh
CBI-P7-2 Yuichi Kida and Takuro Kidabases that is useful for analysis of almost step-100

shaped ion-channel-signals
CBI-P7-3

Ryoji Sekine, Daisuke Kiga andMasayuki Yamamura

Design and construction of genetic networks

101

Naomi Komiyama, Masumi Yukawa,Junpei Komiyama, Tsuguchika
CBI-P7-4 Kaminuma, Hirofumi Watabnabe, Yoshiro Mobile/Ubiquitous/Cloud CBI: A Club134

Nakata, Masahiko Tokunaga, Hiroshi
Tanaka and Koji Sasaki
CBI-P7-5

Ken Komiya, Asako Kobayashi andMasayuki Yamamura

Construction of an Intelligent Robot withMolecules Based on Autonomous DNA
Computing Technology

7142