| KP01 |
In silico screening for selective inhibitors for SHIP2 as a novel anti-diabetic drug
○小澤新一郎1, 合田浩明2, 広野修一1（1.北里大薬, 2.昭和大薬） |
| KP02 |
Computational study of the interaction of α-1-C-alkyl derivatives of 1,4-dideoxy-1,4-imino-D-arabinitol with β-glucocerebrosidase
○中込泉，加藤敦，山乙教之，吉田智喜，足立伊左雄，広野修一（北里大薬，富山大病院薬） |
| KP03 |
Molecular dynamics study on the molecular mechanism of product-assisted catalysis in threonine synthase
○氏家謙, 田中弥, 庄司光男, 原田隆平, 栢沼愛, 重田育照, 村川武志, 林秀行（筑波大 数理, 筑波大 数理, 筑波大 数理, 筑波大 数理, 筑波大 シス情, 筑波大 数理, 阪医大 生化学教室, 阪医大 化学教室） |
| KP04 |
A docking model of HLA-B*13:01 bound to Dapson explains the risk of drug-induced hypersensitivity
○日下部吉男, 渡辺秀晃, 黒田大祐, 莚田泰誠, 合田浩明（昭和大薬, 昭和大医, 理研） |
| KP05 |
Fragment QSAR and Matched Molecular Pair Analysis of Gleevec Analogs against BCR-ABL Kinase
○小林誠一（菱化システム） |
| KP06 |
Development of structural sampling for hydration structure around the protein, based on 3-dimensional distribution function
○千葉峻介, 清田泰臣, 竹田-志鷹真由子（北里大薬） |
| KP07 |
Study of racemization reaction route of the glutamic acid assisted by water molecules
○福吉修一, 仲吉朝希, 高橋央宜, 小田彰史（金沢大 薬, 金沢大 薬, 東北薬大, 金沢大 薬） |
| KP08 |
Studies on the total synthesis of Mollanol A
○Xu Shu（Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College） |
| KP09 |
Development of the DP-based genome sequence analysis system using the motif codon reduced representation
○小林貴史, 加藤博明（豊橋技科大院工） |
| KP10 |
An application of the digital filtering technique to the Rietveld analysis with the noisy XRD data from ‘longgu’, the dragon bone samples.
○黒住裕, 山川純次, 川瀬雅也（岡山大, 岡山大, 長浜バイオ大） |
| KP11 |
Interaction between tebufenozide derivatives and human P-glycoprotein based on classic QSAR, CoMFA and docking
○宮田憲一，中川好秋，木村泰久，植田和光，赤松美紀（京大院農, 京大院農, 京大院農, 京大院農/京大iCeMS, 京大院農） |
| KP12 |
Structural comparison between wild-type and mutant N-acetyltransferase 2 using molecular dynamics simulation
○村田瑛理子，福吉修一，山乙教之，広野修一，小田彰史（金沢大医薬保，北里大薬，阪大蛋白研） |
| KP13 |
Structure-activity relationship analysis of short helical peptides as VDR-coactivator interaction inhibitors.
○三澤隆史, 出水庸介, 栗原正明（国立医薬品食品衛生研究所） |
| KP14 |
Substituted benzothiophene or benzofuran derivatives as anti-osteoporosis agents acting on BMP-2 upregulation
○Li Zhuorong（Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences） |
| KP15 |
Analysing selectivity through multi-dimensional activity cliff analysis
Rae Lawrence1, ○Marina Takahashi2, Sumie Tajima2, Tim Cheeseright1, Mark Mackey1, Martin Slater1（1.Cresset, 2.HULINKS Inc.） |
| KP16 |
Effects of caffeic acid phenethyl ester derivatives on lipid absorption and accumulation
○高橋典子, 津吹政可, 李川, 今井正彦（星薬大, 医薬研） |
| KP17 |
Stereospecific inhibition of nitric oxide production in macrophage cells by flavanonols: synthesis and structure-activity relationship
○Wen-jun Jiang1, Kan’ichiro Ishiuchi2, Megumi Furukawa1, Tomoko Takamiya1, Susumu Kitanaka1, Hiroshi Iijima1（1.日本大薬, 2.名市大院薬） |
| KP18 |
Structural basis for producing CK2α1-specific inhibitors: Crystal structures of hematein with CK2α1 and CK2α2
○露口正人, 平澤明, 仲庭哲津子, 櫻井淳史, 仲西功, 木下誉富（大阪府大院理, 京大院薬, 大阪大蛋白研, 近畿大薬） |
| KP19 |
Theoretical Study on Chiral Recognition of Amino Acids by Peptide Nanoring
竹内淨, ○武田京三郎（早稲田大学理工学術院） |
| KP20 |
Computational study on complex formation between androgen receptor and carborane derivative using molecular dynamics simulation
〇宮本康平, 福吉修一, 太田公規, 遠藤泰之, 小田彰史（金沢大医薬保, 東北薬大薬, 阪大蛋白研） |
| KP21 |
Development of a desk-top tool ToxCalc for eco-toxicity prediction of chemicals
○稲垣孝隆 , 山崎友也 , 高橋由雅（豊橋技科大(院・工)） |
| KP22 |
Development of PharCompo Database and Adverse Effect Analysis by ATC Codes
○大森紀人, 堀川袷志, 岡田孝 , 日野村靖（関西学院大理工, 関西学院大理工, 関西学院大理工, 日本医薬情報センター） |
| KP23 |
Enatioselective Syntheses of redio-active gomisin N
○田宮実, 真柄良平, 石黒正路（新潟薬科大学応用生命科学部） |
| KP24 |
Total sytheses of the non-peptide bradykinin B1 receptor angatonist velutinol A and its derivatives, the seco-pregnanes with cage-like moiety
○田宮実, 井坂修久, 北澤貴明, 長谷川篤志, 石澤和也, 石黒正路（新潟薬科大学応用生命科学部） |
| KP25 |
Structural bioinformatics studies of the active site residues in estrogen receptor alpha and beta
○藤井賢一朗, 福吉修一, 太田公規, 遠藤泰之, 山乙教之, 広野修一, 小田彰史（金沢大院医薬保, 東北薬大, 北里大薬, 阪大蛋白研） |
| KP26 |
Activity Cliff prediction of 7-substituted pyrrolo pyrimidine HCK inhibitors by docking and quantum calculation of pKa
幸瞳，喜久里貢，甲田泰子，三國順子，苫米地由里，新野睦子，田中昭子，白井文幸，白水美香子、小山裕雄、○本間光貴（理研CLST） |
