演題一覧表 - Cheminformatics
カテゴリー： C1 genome-wide & omics study
C2 SAR, pharmacokinetics
C3 drug design, screening, sortingC4 molecular dynamics, docking
C5 quantum mechanics, FMO
C6 computing & simulation
C7 medical system & others
ポスター
演題
筆頭著者 所属
カテゴリー番号Prediction of the complex structure between
Kanazawa
C4
C01_30 PI3K and romidepsin (FK-228) for drug design of Akifumi Oda
University
PI3K/HDAC dual inhibitors
Pattern recognition analysis of 1H NMR spectra Takao
C02_54 of plasma and waste-fluid from patients inTohoku University
Shinkawa
hemodialysis therapy
Acceleration of quantum chemistry and chemical Yuki
X-Ability Co. Ltd.
C5
C03_77 similarity calculations on GPGPU architecture
Furukawa
towards faster virtual screening
Detection of structural elements which may
Minoru
CBRC, AISTC4
C04_122 control transduction pathway of GPCRs based onSugihara
MD calculation and sequence analysis
CARCINOscreen®: Novel short term prediction
Chemicals
FumiyoC05_46 system for carcinogenicity of chemicals byEvaluation andC1
Saito
hepatic transcript profiling in a 28-day repeatResearch Institutedose toxicity study
Chemicals
Establishment of a dose setting method for the Hiroshi
C3
C06_51 CARCINOscreen®: a new short-term chemical
Matsumoto Evaluation andResearch Institutecarcinogenicity screening method
Structure prediction for proteins screened
MitsuoC07_143 critically to autoimmune diseases based upon
Chuo University
C3
Iwadatebioimformatics with Isolated-FAMS
Optimization for placement of secondary
Takahiro
Chuo University
C4
C08_144 structures and multiple consensus selection forMiyashita
structures obtained from homology modeling
Development of G9a inhibitor using molecular
Yoshinori
Quantitive Biology
C09_94C4simulations
HiranoCenter, RIKEN
Improvement of sampling efficiency throughHirokoQuantitive Biology
C4C10_145 combined use of simulations with implicit andKondo
Center, RIKEN
explicit solvent models
Computational design of short peptide inhibitors Junya
University of Tokyo
C4
C11_113 of protein-protein interactions in intracellular
Yamagishi
signaling mediated by CRK-SH2
Capturing drug responses by quantitativeOmics ScienceKazuhiro
C12_118
C2
promoter profilingCenter, RIKEN
Kajiyama
Systems andSystematically selected standard set of theNoriaki
C2
C13_70substituents for SAR exploration
Hashimoto Structural Biology
Center, RIKEN
Regulation of differentiation via microRNAs
YosukeSaitama Medical
C1
C14_155 controlled by master regulator transcription
MizunoUniversity
factors during adipocyte/osteoblast
Exome sequencing for the disease-mutation
Masakazu Saitama Medical
C15_159
C1
search of mitochondrial respiratory chain
Kohda
University
Exome sequencing and family-based analysis for Nana
Saitama Medical
C1
C16_161 the identification of a mutation in a Japanese
MatobaUniversity
family with Malignant Hyperthermia
Id4, a new candidate gene for senile osteoporosis Yoshimi
Saitama Medical
C17_164 acts as a molecular switch promoting osteoblast
C1
Tokuzawa University
differentiation
Integrated analysis of non-coding RNAs
YutakaSaitama Medical
C1
C18_165 expression during bi-directional differentiation
Nakachi
Universityfrom mouse mesenchymal stem cells toRNA-sequencing-based screening of functional Kuniko
Saitama Medical
C19_21C1long non-coding RNAs in MCF7 breast cancer
Horie-Inoue University
Genome-wide identification of estrogen
Kazuhiro
Saitama Medical
C1
C20_49 responsive genes in breast cancer MCF-7 cells
IkedaUniversity
using cap analysis of gene expression

C7

演題一覧表 - Cheminformatics
カテゴリー： C1 genome-wide & omics study
C2 SAR, pharmacokinetics
C3 drug design, screening, sortingC4 molecular dynamics, docking
C5 quantum mechanics, FMO
C6 computing & simulation
C7 medical system & others
ポスター
演題
番号Identification and characterization of humanC21_53 genomic binding sites for retinoic acidreceptor/retinoid X receptor heterodimers
Identification of androgen receptor binding sites
C22_61in the human genome
Identification and characterization of humanC23_80genomic binding sites for retinoid X receptor
Towards a parallel and distributed particle
C24_25simulation in a cloud computing environment
Application of a new global parameterC25_22 optimization method for analyzing
pharmacokinetic drug-drug interactions
An interaction network of biological entities
C26_3
extracted from the literatures on aging studies
Frame design and partial implementation of theC27_12
CADU platform
C28_16
C29_60
C30_62
C31_87
C32_153
C33_156
C34_23
C35_158
C36_167
C37_63

C38_66

C39_131C40_52
C41_73

A novel method for analyzing protein termini

筆頭著者

所属カテゴリー

Takatsugu
KosugiToho University

C1

Akiko
Murasaki

Toho University

C1

Hiroki Saito Toho University

C1Akihiro
Komorida

Tokyo Institute ofTechnology

Kenta
YoshidaUniversity of Tokyo

Kyoko
HiranoTsuguchika
KaminumaTaroKishimoto
TadashiMiyamoto
Hashime
Sawai
YoshiroNakataMasataka
Kikuchi

C6C2International
Medical Information
Institute for Cyber
Associates
Mitsubishi Tanabe
Pharma Corp.
Tokyo Medical andDental University
Tokyo Medical and
Dental University''Expression trajectories'' of reprogramming anddifferentiation on expression potential fieldA pathway based prioritization for risk genes ofbipolar disorder
From computational chemistry to computational
Gunma University
medicinal chemistry: An open course on theInstability of network modules uncovers disease
Tokyo Medical andmodules
Dental University
Simulation of K+ ion flux in the gap junction
Tokyo Medical andEiichi Ueno
network in cochlea in the inner ear
Dental University
Rapid detection of clinically important SNPTokyo Medical and
C1
2269G>A in human ABCC4 gene using SmartAmp Wanping Aw Dental University
assay and its clinical validation
Classification of steroid-binding proteins based Yasuha
Tokyo Medical andon atomic environment and molecular function
TanakaDental University
Genome wide association study and pathway
Syed Ali
Tokyo Medical andC1analysis (GWASPA) of atherosclerosis in three
Zaidi
Dental University
distinct arterial systems
Tokyo University of
The bioluminescence-based odor sensing system Yosuke
Agriculture andwith a yeast expressing an olfactory receptor
FukutaniTechnology
Development of dehalococcoides enrichedTokyo University ofculture that grows on cis-1,2 dichloroethene and Ayane
Agriculture andC1
Takechiits metagenomic characterization by 2ndTechnology
generation sequencer SOLiDTokyo University ofFunctions of two strictly conserved arginine
TakayukiAgriculture andresidues in Fe-type nitrile hydratase fromAihara
Technology
Rhodococcus erythropolis N771
A local relaxation of the secondary structure in Yoshiaki
Fujitsu Laboratories
human deacetylase SIRT2 induced byTanidaLtd.
macrocyclic peptide binding
An ontological approach to modeling ofYuki
Osaka University
interoperable abnormalities in medicine
Yamagata

C6C7C7C7C6C7C6C6C4C3C4C4C7

演題一覧表 - Cheminformatics
カテゴリー： C1 genome-wide & omics study
C2 SAR, pharmacokinetics
C3 drug design, screening, sortingC4 molecular dynamics, docking
C5 quantum mechanics, FMO
C6 computing & simulation
C7 medical system & others
ポスター演題筆頭著者
番号
Demonstrated examples of the four-body
Chiduru
C42_154
corrected fragment molecular orbital calculations Watanabe
Interaction analysis in implicit solvent with ionic Yoshio
C43_163
effect using fragment molecular orbital method
OkiyamaNae Saito
C44_56 Fragment screening for FLT3 inhibitors
Synthesis and SAR studies of PIM1 kinase
Hirofumi
C45_82
inhibitors
NakanoOptimal lipophilicity of sulfonium pYukio Tada
C46_64
toluenesulfonate as anti-allergic drug
Influence of the membrane lipid composition on Md. Iqbal
C47_71 the conformational change of G-protein coupled
Mahmood
receptor
Molecular network of ChIP-seq-based vitamin D Jun-Ichi
C48_2
receptor target genes supports a protective role Satohof vitamin D in development of multiple sclerosis
Developmental strategy of CAST (cancer stromal Masahiro
C49_43 targeting) therapy using DDS (Drug delivery
Yasunagasystem) and Imaging technology
KazumiC50_11 Enzyme kinetics and diseases
Omata

所属

カテゴリー

University of Tokyo

C5

University of Tokyo

C5
C3

University of Tokyo
University of Tokyo

C2

University of Tokyo

C2

Chiba UniversityMeiji
C1
PharmaceuticalUniversityNational Cancer
C3
Center Hospital
EastNational Center forGlobal Health andMedicine
National Institutefor EnvironmentalStudies
Astellas Pharma
C2Inc.

C4

Identification of stage-specific gene expression Hideko
C51_102 signatures in response to retinoic acid during theSone
neural differentiation of mouse embryonic stem
Chemical database mining for matched molecular Kenichi
C52_6
pairs toward multi-ADMET optimization
MoriClustering and QSAR approach by the KYKohtaro
C53_109
In Silico Data Ltd.
C2methods
Yuta
A chemogenomics approach to predict binding
Nobuyoshi
C54_36 activities of ligands to GPCRs based on thePharmaDesign Inc.
C2SugayaGPCRSARfari data in the ChEMBL database
Predicting SCN1A-related epilepsy phenotypes Shuichi
Hamamatsu
C55_58 based on the functional effect in SCN1A with theUniversity SchoolYoshidaamino-acid substitution.
of Medicine
Improved CDPG algorithm for effective
C56_47 interpretation of metabolic syndrome causing risk Shun Kawai Nagoya University C1
factor combinations
Enhanced screening and understanding ofKei Kanie
Nagoya University
C3
C57_101
Hypolipidemic peptides assisted by informatics
Structural similarity search of molecules usingToyohashi
C58_117
Hiroaki KatoC3the neighborhood fragment spectra
University ofFinding peptide binding sites on a protein with a Takuya
Toyohashi
C59_151
C4
parallel n-ary search tree algorithm
Nakagawa University ofPrediction of drug-target interaction network
Masataka
C60_32
Kyoto University
C3
using adverse event report systems
TakarabeAn approach to chemical education at medical
Hidestugu
C61_1
Kyoto University
technologist training institutions in Japan
Kohzaki
Regulatory T cell-specific transcriptional
Hiromasa
Osaka university
C1
C62_5
regulation primed by epigenetic conversion andMorikawa
Foxp3 expression
LigandBox : a database for 3D conformers ofTakeshi
C63_75
Osaka University
chemical compounds
Kawabata
TeijiroC64_55 On Swarm networks and molecular robots
University of HyogoIsokawa

C6C6C6C7C6C6

演題一覧表 - Cheminformatics
カテゴリー： C1 genome-wide & omics study
C2 SAR, pharmacokinetics
C3 drug design, screening, sortingC4 molecular dynamics, docking
C5 quantum mechanics, FMO
C6 computing & simulation
C7 medical system & others
ポスター
演題筆頭著者 所属
カテゴリー番号Optimization of PSMA-binding peptides byYasuyuki
C65_41
Okayama University
molecular modeling and binding energy prediction Fujii
Large-scale quantum chemical calculations forYoichiro
Okayama University
C66_50the drug effects of AIDS agents
Yagiof Science
A novel and consistent approach to enzymaticAkira
University ofC67_26 reactions using Ab initio MO calculations: Trypsin
Mashima
Tokushimacatalysis of a series of substrates
A novel fragment based QSAR using FMO andHiroshi
University ofC68_27 LERE: binding affinity of relenza and its
MatobaTokushimaanalogues with influenza virus neuraminidase
A new efficient approach to solvation energy
Seiji
University ofC69_28 change associated with complex formation ofTokushimaligand with protein: critical comparison of various Hitaoka
solvation energy calculations
A combined QM/MM (ONIOM) and QSAR
Tatsusada University ofC70_24 approach to the study of complex formation of
YoshidaTokushimamatrix metalloproteinase-9 with a series ofbiphenylsulfonamides
Kyushu Institute ofsearching multiple SNP associations in genome
Naoto Ikeda
C1
C71_134
Technology
wide association study
Inferring chemogenomic features from drugYoshihiro
Kyushu University
C72_65 target interaction network using sparse canonicalYamanishicorrespondence analysis
Identification of novel chemical inhibitors forKyushu Institute ofC73_59 hepatocyte growth factor by In silico structure- Yuji Koseki
C3Technology
based drug screening
Identification of novel small-molecule inhibitors Takayuki
Kagoshima
C74_99C3of HIV-1 transcription by in silico screening
Hamasaki
UniversityMulti-parameter optimization in drug discovery: SumieHulinks Inc.
C75_4
Quickly targeting compounds with a good balance Tajimaof properties

C5C5C5C5C5C5C6C6