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  • 生命科学系分子科学計算ソフトウェア
  • 材料科学系分子科学計算ソフトウェア
  • 化学工学系ソフトウェア
  • 技術計算プットフォーム
  • データ管理・解析システム

MOE(統合計算化学システム)
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References citing MOE

  1. Amari, S.; Aizawa, M.; Zhang, J.; Fukuzawa, K.; Mochizuki, Y.; Iwasawa, Y.; Nakata, K.; Chuman, H.; Nakano, T.
    VISCANA: Visualized Cluster Analysis of Protein-Ligand Interaction Based on the ab Initio Fragment Molecular Orbital Method for Virtual Ligand Screening,
    J. Chem. Inf. Model., 2006, 46, 221-230.

  2. Arakawa, M.; Hasegawa, K.; Funatsu, K.
    Tailored scoring function of Trypsin-benzamidine complex using COMBINE descriptors and support vector regression,
    Chemom. Intell. Lab. Syst., 2008, 92, 145-151.

  3. Auzanneau, F.-I.; Sourial, E.; Schmidt, J.M.; Feher, M.
    Stochastic conformational search on the Lewis X (Lex) trisaccharide and three Lex analogues,
    Can. J. Chem., 2002, 80, 1088-1095.

  4. Azuma, M.; Kabe, Y.; Kuramori, C.; Kondo, M.; Yamaguchi, Y.;, Handa, H.
    Adenine Nucleotide Translocator Transports Haem Precursors into Mitochondria,
    PLoS ONE, 2008, 3, e3070.

  5. Bai, J.-Y., Ding, W.-G., Kojima, A., Seto, T. and Matsuura, H.
    Putative binding sites for arachidonic acid on the human cardiac Kv1. 5 channel
    British journal of pharmacology, Wiley Online Library, 2015, Vol. 172(22), pp. 5281-5292

  6. Bajorath, J.
    Selected concepts and investigations in compound classification, molecular descriptor analysis, and virtual screening.
    J. Chem. Inf. Comput. Sci., 2001, 41, 233-245.

  7. Baraldi, P.G.; Cacciari, B.; Moro, S.; Spalluto, G.; Pastorin, G.; Da Ros, T.; Klotz, K.-N.; Varani, K.; Gessi, S.; Borea, P. A.
    Synthesis, biological activity, and molecular modeling investigation of new pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives as human A(3) adenosine receptor antagonists,
    J. Med. Chem., 2002, 45, 770-780.

  8. Baraldi, P.G.; Cacciari, B.; Romagnoli, R.; Spalluto, G.; Moro, S.; Klotz, K.-N.; Leung, E.; Varani, K.; Gessi, S.; Merighi, S.; Borea, P.A.
    Pyrazolo [4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives as highly potent and selection human A(3) adenosine receptor antagonists: Influence of the chain at the N(8) pyrazole nitrogen,
    J. Med. Chem., 2000, 43, 4768-4780.

  9. Baudry, J.; Li, W.; Pan, L.; Berenbaum, M.R.; Schuler, M.A..
    Molecular docking of substrates and inhibitors in the catalytic site of CYP6B1, an insect cytochrome P450 monooxygenase, Protein Eng., 2003, 16, 577-587.

  10. Baurin, N.; Mozziconacci JC.; Arnoult, E.; Chavatte, P; Marot, C.; Morin-Allory, L..
    2D QSAR Consensus Prediction for High-Throughput Virtual Screening. An Application to COX-2 Inhibition Modeling and Screening of the NCI Database, J. Chem. Inf. Comput. Sci., 2004, 44, 276-285.

  11. Cen, X.; Nitta, A.: Ohya, S.; Zhao, Y.; Ozawa, N.;, Mouri, A.; Ibi, D.; Wang, L.; Suzuki, M.; Saito, K.; Ito, Y.; Kawagoe, T.; Noda, Y.; Ito, Y.; Furukawa, S.; Nabeshima, T..
    An Analog of a Dipeptide-Like Structure of FK506 Increases Glial Cell Line-Derived Neurotrophic Factor Expression through cAMP Response Element-Binding Protein Activated by Heat Shock Protein 90/Akt Signaling Pathway, J. Neurosci., 2006, 26, 3335-3344.

  12. Chen. R.; Yokoyama, M.; Sato, H.; Reilly, C.; Mansky, L.M..
    Human Immunodeficiency Virus Mutagenesis during Antiviral Therapy: Impact of Drug-Resistant Reverse Transcriptase and Nucleoside and Nonnucleoside Reverse Transcriptase Inhibitors on Human Immunodefiency Virus Type 1 Mutation Frequencies, J. Virol., 2005, 79, 12045-12057.

  13. Chou. K.-C.; Howe, W.J.
    Prediction of the tertiary structure of the beta-secretase zymogen. Biochemical and Biophysical Research Communications, 2002, 292, 702-708.

  14. Daines, R.A.; Pendrak, I.; Sham, K.; Van Aller, G.S.; Konstantinidis, A.K.; Lonsdale, J.T.; Janson, C.A.; Qiu, X.; Brandt, M.; Khandekar, S.S.; Silverman, C.; Head, M.S.
    First x-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling. J. Med. Chem., 2003, 46, 5-8.

  15. Demura, M.; Yoshida, T.; Hirokawa, T.; Kumaki, Y.; Aizawa, T.; Nitta, K.; Bitter, I.; Toth ,K..
    Interaction of dopamine and acetylcholine with an amphiphilic resorcinarene receptor in aqueous micelle system, Bioorg. Med. Chem. Lett., 2005, 15, 1367-1370.

  16. Duffy, K.J.; Shaw, A.N.; Delorme, E.; Dillon, S.B.; Erickson-Miller, C.; Giampa, L.; Huang, Y.; Keenan, R.M.; Lamb, P.; Liu, N.; Miller, S.G.; Price, A.T.; Rosen, J.; Smith, H.; Wiggall, K.J.; Zhang, L.; Luengo, J.I.
    Identification of a pharmacophore for thrombopoietic activity of small, non-peptidyl molecules. 1. Discovery and optimization of salicylaldehyde thiosemicarbazone thrombopoietin mimics, J. Med. Chem., 2002, 45, 3573-3575.

  17. Duffy, K.J.; Price, A.T.; Delorme, E.; Dillon, S.B.; Duquenne, C.; Erickson-Miller, C.; Giampa, L.; Huang, Y.; Keenan, R.M.; Lamb, P.; Liu, N.; Miller, S.G.; Rosen, J.; Shaw, A.N.; Smith, H.; Wiggall, K.J.; Zhang, L.; Luengo, J.I.
    Identification of a pharmacophore for thrombopoietic activity of small, non-peptidyl molecules. 2. Rational design of naphtho[1,2-d] imidazole thrombopoietin mimics, J. Med. Chem., 2002, 45, 3576-3578.

  18. Ermondi, G.; Caron, G.; Lawrence, R.; Longo, D.
    Docking studies on NSAID/COX-2 isozyme complexes using Contact Statistics analysis.
    J. Comput. Aided. Mol. Des., 2004, 18, 683-696.

  19. Esposito, E.X.; Baran, K.; Kelly, K.; Madura, J.D
    Docking of sulfonamides to carbonic anhydrase II and IV.
    J. Molec. Graph. and Mod., 2000, 18, 283-289.

  20. Esposito, E.X.; Baran, K.; Kelly, K.; Madura, J.D
    Docking substrates to metalloenzymes.
    Molecular Simulation, 2000, 24, 293-306.

  21. Feher, M.; Schmidt, J.M.
    Property distributions: Differences between drugs, natural products, and molecules from combinatorial chemistry, J. Chem. Inf. Comput. Sci., 2003, 43, 218-227.

  22. Feher, M.; Schmidt, J.
    Metric and multidimensional scaling: Efficient tools for clustering molecular conformations,
    J. Chem. Inf. Comput. Sci., 2001, 41, 346-353.

  23. Feher, M.; Schmidt, J.M.
    Multiple flexible alignment with SEAL: A study of molecules acting on the colchicine binding site,
    J. Chem. Inf. Comput Sci. , 2000, 40, 495-502.

  24. Feher, M.; Sourial, E.; Schmidt, J.M.
    A simple model for the prediction of blood-brain partitioning. Int. J. Pharmaceutics, 2000, 201, 239-247.

  25. Fukiage, C.; Nakajima, E.; Ma, H.; Azuma, M.; Shearer, T.R.
    Charaterization and regulation of lens-specific calpain Lp82, J. Biol. Chem., 2002, 277, 20678-20685.

  26. Gagnon, L.; DiMarco, M.; Kirby, R.; Zacharie, B.; Penney, C.L.
    D-LysAsnProTyr tetrapeptide: a novel B-cell stimulant and stabilized bursin mimetic, Vaccine, 2000, 18, 1886-1892.

  27. Gao, H.
    Application of BCUT metrics and genetic algorithm in binary QSAR analysis,
    J. Chem. Inf. Comput. Sci., 2001, 41, 402-407.

  28. Gao, H.; Williams, C.; Labute, P; Bajorath, J.
    Binary quantitative structure - activity relationship (QSAR) analysis of estrogen receptor ligands.
    J. Chem. Inf. Comput. Sci., 1999, 39, 164-168.

  29. 「基礎と実習 バイオインフォマティクス」
    郷通子、高橋健一 編、
    2004, 共立出版(株)

  30. Godden, J.W.; Furr, J.R.; Bajorath, J.
    Recursive median partitioning for virtual screening of large databases, J. Chem. Inf. Comput. Sci., 2003, 43, 182-188.

  31. Godden, J.W.; Bajorath, J.
    Chemical Descriptors with Distinct Levels of Information Content and Varying Sensitivity to Differences between Selected Compound Databases Identified by SE-DSE Analysis,
    J. Chem. Inf. Comput. Sci., 2002, 42, 87-93.

  32. Godden, J.W.; Xue, L.; Kitchen, D.B.; Stahura, F.L.; Schermerhorn, E.J.; Bajorath, J.
    Median partitioning. A novel method for the selection of representative subsets from large compound pools, J. Chem. Inf. Comput. Sci. , 2002, 42, 885-893.

  33. Godden, J.W.; Stahura, F.L.; Bajorath, J.
    Variability of molecular descriptors in compound databases revealed by shannon entropy calculations,
    J. Chem. Inf. Comput. Sci., 2000, 40, 796-800.

  34. Godden, J.W.; Xue, L.; Bajorath, J.
    Combinatorial preferences affect molecular similarity/diversity calculations using binary fingerprint and Tanimoto coefficients,
    J. Chem. Inf. Comput. Sci., 2000, 40, 163-166.

  35. Goto, J.; Kataoka, R.; Hirayama, N.
    Ph4Dock: Pharmacophore-Based Protein-Ligand Docking. J. Med. Chem., 2004, 47, 6804-6811.

  36. Goto, J.; Kataoka, R.; Muta H.; Hirayama, N.
    ASEDock-Docking Based on Alpha Spheres and Excluded Volumes. J. Chem. Inf. Model., 2008, 48, 583-590.

  37. Giuliano, B.; Clayton, S.; Nigel, J., W.; Franco, L.
    In Silico Prediction of Volume of Distribution in Human Using Linear and Nonlinear Models on a 669 Compound Data Set. J. Med. Chem., 2009, 52, 4488-4495.

  38. Hamada T, Kawashima M, Watanabe H, Tagami J, Senpuku H.
    Molecular interactions of surface protein peptides of Streptococcus gordonii with human salivary components. Infect. Immun. 2004, 72(8), 4819-26.

  39. Hasegawa, K.; Koyama, M.; Funatsu, K.
    Quantitative Prediction of Regioselectivity Toward Cytochrome P450/3A4 Using Machine Learning Approaches. Mol. Inf. 2010, 29, 243-249.

  40. Hasegawa, K.; Funatsu, K.
    Advanced PLS Technique Focusing on Visualization and Chemical Interpretation - SOMPLS Analysis of Serine Protease Inhibitors -. J. Comput. Aided. Chem., 2010, 11, 56-61.

  41. Hidaka, K.; Kimura, T.; Abdel-Rahman, H., M.; Nguyen, J.-T.; McDaniel, K., F.; Kohlbrenner, W., E.; Katsuki, N.; Tanaka, Y.; Matsumoto, H.; Wang, J.; Hayashi, Y.; Kempf, D., J.; Kiso, Y.
    Small-Sized Human Immunodeficiency Virus Type-1 Protease Inhibitors Containing Allophenylnorstatine to Explore the S2' Pocket. J. Med. Chem., 2009, 52, 7604-7617.

  42. Howarth, N.M.; Purohit, A.; Robinson, J.J.; Vicker, N.; Reed, M.J.; Potter, B.V.L.
    Estrone 3-sulfate mimics, inhibitors of estrone sulfatase activity: Homology model construction and docking studies, Biochemistry, 2002, 41, 14801-14814.

  43. Huang, J.; Hamasaki, T.; Ozoe, F.; Ohta, H.; Enomoto, K.; Kataoka, H.; Sawa Y.; Hirota, A.; Ozoe, Y.
    Identification of Critical Structural Determinants Responsible for Octopamine Binding to the R-Adrenergic-like Bombyx mori Octopamine Receptor. Biochemistry, 2007, 46, 5896-5903.

  44. Ishii, K.; Kondo, K.; Takahashi, M.; Kimura M.; Endoh, M.
    An amino acid residue whose change by mutation affects drug binding to the HERG channel,
    FEBS Letters, 2001, 506, 191-195.

  45. Ito, S.; Nakahari, T.; Yamamoto, D.
    The structural feature surrounding glycated lysine residues in human hemoglobin,
    Biomed. Res., 2011, 32. 217-223.

  46. Ito, S.; Nakahari, T.; Yamamoto, D.
    Relationship between impaired glycation and the N-terminal structure of the Hb G\örwihl [$5 (A2) Pro->Ala] variant,
    Hemoglobin, 2010, 34. 151-156.

  47. Ito, S.; Yamamoto, D.
    Identification of two bromocresol purple binding sites on human serum albumin,
    Clin. Chim. Acta, 2010, 411. 1536-1538.

  48. 片岡良一、後藤純一
    「バイオインフォマティクスと創薬」
    ポストシークエンスタンパク質実験法 1ー全タンパク質の解析ー
    大島泰郎、鈴木紘一、藤井義明、村松喬 編

    p191-201、 2002,(株)東京化学同人

  49. 片岡良一、後藤純一
    ASEDock―結合部位の形状に基づくドッキング
    Molecular Science, 2008, 2, NP008.

  50. Katada, S.; Hirokawa, T.; Oka, Y.; Suwa, M.; Touhara, K.
    Structural Basis for a Broad But Selective Ligand Spectrum of a Mouse Olfactory Receptor: Mapping the Odorant-Binding Site,
    J. Neurosci., 2005, 25, 1806-1815.

  51. Kinomoto, M.: Yokoyama, M.: Sato, H.: Kojima, A.: Kurata, T.: Ikuta, K.: Sata, T.: Tokunaga, K.
    Amino Acid 36 in the Human Immunodeficiency Virus Type 1 gp41 Ectodomain Controls Fusogenic Activity: Implications for the Molecular Mechanism of Viral Escape from a Fusion Inhibitor,
    J. Virol., 2005, 79, 5996-6004.

  52. Kinomoto, M.: Appiah-Opong, R.: Brandful, J.A.M..: Yokoyama, M.: Nii-Trebi, N.: Ugly-Kwame, E.: Sato, H.: Ofori-Adjei, D.: Kurata, T.: Barre-Sinoussi, F.O.: Sata, T.: Tokunaga, K.
    HIV-1 proteases from drug-na ve West African patients are differentially less susceptible to protease inhibitors,
    Clin. Infect. Dis., 2005, 41, 243-251.

  53. Kiso, A.: Hidaka, K.: Kimura, T.: Hayashi, Y.: Nezami, A.: Freire, E.: Kiso, Y.
    Search for substrate-based inhibitors fitting the S2' space of malarial aspartic protease plaasmepsin II,
    J. Peptide Sci., 2004, 10, 641-647.

  54. Kobayashi, K.; Oishi, S.; Hayashi, R.; Tomita, K.; Kubo, T.; Tanahara, N.; Ohno, H.; Yoshikawa, Y.; Furuya, T.; Hoshino, M.; Fujii, N.
    Structure-Activity Relationship Study of a CXC Chemokine Receptor Type 4 Antagonist, FC131, Using a Series of Alkene Dipeptide Isosteres,
    Journal of Medicinal Chemistry, 2012, 55. 2746-2757. [NEW]

  55. Kotake, T.: Hayashi, Y.: Rajesh, S.: Mukai, Y.: Takiguchi, Y.: Kimura, T.: Kiso, Y.
    Design and synthesis of a new polymer-supported Evans-type oxazolidinone: an efficient chiral auxiliary in the solid-phase asymmetric alkylation reaction,
    Tetrahedron, 2005, 61, 3819-3833.

  56. Kubo, Y.; Yokoyama, M.; Yoshii, H.; Mitani, C.; Tominaga, C.; Tanaka, Y.; Sato, H.; Yamamoto, N.
    Inhibitory role of CXCR4 glycan in CD4-independent X4-tropic human immunodeficiency virus type 1 infection and its abrogation in CD4-dependent infection,
    J. Gen. Virol., 2007, 88, 3139-3144.

  57. Kurotsuchi A.; Murakumo Y.; Jijiwa M.; Kurokawa K.; Itoh Y.; Kodama Y.; Kato T.; Enomoto A.; Asai N.; Terasaki H.; Takahashi M.
    Analysis of DOK-6 function in downstream signaling of RET in human neuroblastoma cells,
    Cancer Sci., 2010, 101, 1147-1155.

  58. Labute, P.; Nilar, S.; Williams, C.
    A Probabilistic Approach to High Throughput Drug Discovery,
    Combinatorial Chemistry & High Throughput Screening, 2002, 5, 135-145.

  59. Labute, P.; Williams, C.; Feher, M.; Sourial, E.; Schmidt, J.M.
    Flexible alignment of small molecules,
    J. Med. Chem., 2001, 44, 1483-1490.

  60. Labute, P.
    A widely applicable set of descriptors,
    J. Mol. Graphics Mod. , 2000, 18, 464-477.

  61. Li, X.; Baudry, J; Berenbaum, M.R.; Schuler, M.A.
    Structural and functional evolution of insect CYP6B proteins: from specialist to generalist P450,
    Proc. Natl. Acad. Sci. , 2004, 101, 2939-2944.

  62. Lindstrom, A.; Pettersson, F; Almqvist, F; Berglund, A.; Kihlberg, J.; Linusson, A..
    Hierarchical PLS Modeling for Predicting the Binding of a Comprehensive Set of Structurally Diverse Protein-Ligand Complexes,
    J. Chem. Inf. Model. , 2006, 46, 1154-1167.

  63. Manavalan, B.; Murugapiran, S.K.; Lee, G.; Choi, S.
    Molecular modeling of the reductase domain to elucidate the reaction mechanism of reduction of peptidyl thioester into its corresponding alcohol in non-ribosomal peptide synthetases.
    BMC Struct. Biol., 2010, 10:1.

  64. Meagher, K. L.; Lerner, M. G.; Carlson, H. A.
    Refining the Multiple Protein Structure Pharmacophore Method: Consistency across Three Independent HIV-1 Protease Models,
    J. Med. Chem., 2006, 49, 3478-3484.

  65. Misumi, S.; Endo, M.; Mukai, R.; Tachibana K.;Umeda M.; Honda, T.,Takamune, N.; Shoji, S.
    A Novel Cyclic Peptide Immunization Strategy for Preventing HIV-1/AIDS Infection and Progression,
    J. Biol. Chem. , 2003, 278, 32335-32343.


  66. Motomura, K.; Oka, T.; Yokoyama, M.; Nakamura, H.;Mori, H.; Ode, H.; Hansman, GS.; Katayama, K.; Kanda, T.; Tanaka, T.; Takeda, N.; Sato, H..
    the Norovirus Surveillance Group of Japan: Identification of Monomorphic and Divergent Haplotypes in 2006/2007 Norovirus GII/4 Epidemic Population by Genome-wide Tracing of Evolutionary History,
    J. Virol., 2008, 82, 11247-11262.

  67. Murayama, N.; Imai, N.; Nakane, T.; Shimizu, M.;Yamazaki, H..
    Roles of CYP3A4 and CYP2C19 in methyl hydroxylated and N-oxidized metabolite formation from voriconazole, a new anti-fungal agent, in human liver microsomes,
    Biochem. Pharmacol. , 2007, 73, 2020-2026.

  68. Nagata, N.; Iwata, N.; Hasegawa, H.; Fukushi, S.; Yokoyama, M.; Harashima, A.; Sato, Y.; Saijo, M.; Morikawa, S.; Sata, T.
    Participation of both host and virus factors in induction of severe acute respiratory syndrome in F344 rats infected with SARS coronavirus,
    J. Virol., 2007, 81, 1848-1857.

  69. Naganawa, S.; Yokoyama, M.; Shiino, T.; Suzuki, T.; Ishigatsubo, Y.; Ueda, A.; Shirai, A.; Takeno, M.; Hayakawa, S.; Sato, S.; Tochikubo, O.; Kiyoura, S.; Sawada, K.; Ikegami, T.; Kanda, T.; Kitamura, K.; Sato, H..
    Net Positive Charge of HIV-1 CRF01_AE V3 Sequence Regulates Viral Sensitivity to Humoral Immunity,
    PLoS ONE, 2008, 3, e3206.
    この論文はインフォマティクス統合プラットフォーム「InforSense」も使用しています

  70. Nayeem, A.; Sitkoff, D.; Krystek, S., Jr.
    A comparative study of available software for high-accuracy homology modeling: From sequence alignments to strucutural models,
    Protein Science., 2006, 15, 808-824.

  71. Niwa, T.; Asaki, T.; Kimura, S..
    NS-187 (INNO-406), a Bcr-Abl/Lyn Dual Tyrosine Kinase Inhibitor,
    Analytical Chemistry Insights., 2007, 2, 93-106.

  72. Ogola, H., J., O.; Kamiike, T.; Hashimoto, N.; Ashida H.; Ishikawa T.; Shibata H.; Sawa Y.
    Molecular characterization of a novel peroxidase from the cyanobacterium Anabaena sp. strain PCC 7120. Applied and Environmental Microbiology, 2009, 75, 7509-7518.

  73. Oka, T.; Yamamoto, M.; Yokoyama, M.; Ogawa, S.; Hansman, G. S.; Katayama, K.; Miyashita, K.; Takagi, H.; Tohya, Y.; Sato, H.; Takeda, N.
    Highly conserved configuration of catalytic amino acid residues among calicivirus-encoded proteases,
    J. Virol., 2007, 81, 6798-6806.

  74. Okamoto, M.; Takayama, K.; Shimizu, T.; Ishida, K.; Takahashi, O.; Furuya, T.
    Identification of Death-Associated Protein Kinases Inhibitors Using Structure-Based Virtual Screening,
    J. Med. Chem., 2009, 52, 7323-7327.

  75. Okazaki, S.; Suzuki, A.; Komeda, H.; Yamaguchi, S.; Asano, Y.; Yamane, T..
    Crystal Structure and Functional Characterization of a D-Stereospecific Amino Acid Amidase from
    Ochrobactrum anthropi SV3, a New Member of the Penicillin-recognizing Proteins,
    J. Mol. Biol., 2007, 368, 79-91.

  76. Okazaki, S.; Suzuki, A.; Mizushima, T.; Kawano, T.;Komeda, H.; Asano, Y.; Yamane, T..
    The Novel Structure of a Pyridoxal 5′-Phosphate-Dependent Fold-Type I Racemase,
    α-Amino-ε-caprolactam Racemase from Achromobacter obae,
    Biochemistry, 2009, 48, 941-950.

  77. 大川原 正、岡本良成、大塚雅巳
    「薬剤耐性克服と創薬-イマチニブの耐性克服をどうするか」
    癌治療と宿主2005, vol.17 No.2, p63(157)-71(165)

  78. Pan, L.; Wen, Z.; Baudry, J.; Berenbaum, M.R.; Schuler, M.A..
    Identification of Variable Amino Acids in the SRS1 Region of CYP6B1 Modulating Furanocoumarin Metabolism,
    Arch. Biochem. Biophys., 2004, 422, 31-41.

  79. Rose, S.
    Statistical design and application to combinatorial chemistry,
    Drug Discovery Today, 2002, 7, 133-138.

  80. Rupasinghe, S.; Baudry, J.; Schuler, M.A.;
    Common active site architecture and binding strategy of four phenylpropanoid P450s from Arabidopsis thaliana as revealed by molecular modeling,
    Protein Eng., 2003, 16, 721-731.

  81. Song, H.; Nakayama, E. E.; Yokoyama, M.; Sato, H.; Levy, J. A.; Shioda, T.
    A single amino acid of the human immunodeficiency virus type 2 capsid affects its replication in the presence of cynomolgus monkey and human TRIM5as,
    J. Virol., 2007, 81, 7280-7285.

  82. Sato, F.; Hojo, S.; Sun, H.
    On the Transferability of Force Field Parameters-With an ab Initio Force Field Developed For Sulfonamides,
    J. Phys. Chem. A , 2003, 107, 248-257.

  83. Schefzick, S.; Bradley, M.
    Comparison of commercially available genetic algorithms: gas as variable selection tool,
    J. Comput. Aided. Mol. Des., 2004, 18, 511-521.

  84. Shimada, T.; Murayama, N.; Tanaka, K.; Takenaka, S; Imai, Y.; Hopkins, N.E.; Foroozesh, M.K.; Alworth, W.L.; Yamazaki, H.; Guengerich, F.P.; Komori, M..
    Interaction of Polycyclic Aromatic Hydrocarbons with Human Cytochrome P450 1B1 in Inhibiting Catalytic Activity,
    Chem. Res. Toxicol., 2008, 21, 2313-2323.

  85. Shirakawa, K.; Takaori-kondo, A.; Yokoyama, M.; Izumi, T; Matsui, M.; Io, K.; Sato, T.; Sato, H.; Uchiyama, T..
    Protein kinase A-mediated phosphorylation regulates the interaction between APOBEC3G and HIV-1 Vif,
    Nat. Struct. Mol. Biol., 2008, 15, 1184-1191.

  86. Soderling, S.H.; Beavo, J.A.
    Regulation of cAMP and cGMP signaling: new phosphodiesterases and new functions, Current Opinion in Cell Biology, 2000, 12, 174-179.

  87. Song, M.; Breneman, C.M.; Bi, J.; Sukumar, N.; Bennett, K.P.; Cramer, S.; Tugcu, N..
    Prediction of protein retention times in anion-exchange chromotography systems using support vector regression, J. Chem. Inf. Comput. Sci., 2002, 42, 1347-1357.

  88. Takaoka, Y.; Ohta, M.; Takeuchi, A.; Miura, K.; Matsuo, M.; Sakaeda, T.; Sugano, A.; Nishio, H..
    Ligand orientation governs conjugation capacity of UDP-glucuronosyltransferase 1A1,
    J. Biochem., 2010, 148, 25-28.

  89. Tanaka, T.; Okuda, T.; Yamamoto, Y..
    Characterization of the CYP3A4 Active Site by Homology Modeling,
    Chem. Pharm. Bull., 2004, 52, 830-835.

  90. Tanaka, T.; Kamiguchi, N.; Okuda, T.; Yamamoto, Y..
    Characterization of the CYP2C8 Active Site by Homology Modeling,
    Chem. Pharm. Bull., 2004, 52, 836-841.

  91. Teramoto, T.; Sakakibara, Y.; Inada, K.; Kurogi, K.;Liu, M.; Suiko, M.; Kimura, M.;Kakuta, Y..
    Crystal structure of mSULT1D1, a mouse catecholamine sulfotransferase,
    FEBS Letters, 2008, 582, 3909-3914.

  92. Tomitori, H.; Suganami, A.; Saiki, R.; Mizuno, S.; Yoshizawa, Y.; Masuko, T.; Tamura, Y.; Nishimura, K.; Toida, T.; Williams, K.; Kashiwagi, K.; Igarashi, K.
    Structural Changes of Regulatory Domain Heterodimer of N-Methyl-d-aspartate Receptor Subunits GluN1 and GluN2B through the Binding of Spermine and Ifenprodil,
    J. Pharmacol. Exp. Ther., 2012, 343. 82-90. [NEW]

  93. Ueno, Y.; Kato, T.; Sato, K.; Ito, Y.; Yoshida, M.; Inoue, T.; Shibata, A.; Ebihara, M.; Kitade, Y..
    Synthesis and Properties of Nucleic Acid Analogues Consisting of a Benzene-Phosphate Backbone
    J. Org. Chem., 2005, 70, 7925-7935.

  94. Warr, W.
    Virtual high-throughput screening: Computational tools for drug discovery and design.
    Spectrum, Drug Discovery and Design, 2001, Issue 10, 1-16.

  95. Whitling, J.M.; Spreitzer, G.; Wright, D.M.
    A combinatorial and informatics approach to CdS nanoclusters,  Advanced Materials, 2000, 12, 1377-1380.

  96. Wildman, S.A.; Crippen, G.M.
    Prediction of physicochemical parameters by atomic coordinates,
    J. Chem. Inf. Comput. Sci., 1999, 39, 868-873.

  97. Xue, L.; Stahura, F.L.; Godden, J.W.; Bajorath, J.
    Fingerprint scaling increases the probability of identifying molecules with similar activity in virtual screening calculations,
    J. Chem. Inf. Comput. Sci., 2001, 41, 746-53.

  98. Xue, L.; Godden, J.W.; Gao, H; Bajorath, J.
    Mini-fingerprints detect similar activity of receptor ligands previously recognized only by three-dimensional pharmacophore-based methods,
    J. Chem. Inf. Comput. Sci., 2001, 41, 394-401.

  99. Xue, L.; Bajorath, J.
    Molecular descriptors for effective classification of biologically active compounds based on principal component analysis identified by a genetic algorithm,
    J. Chem. Inf. Comput. Sci., 2000, 40, 801-809.

  100. Xue, L.; Godden, J.W.; Bajorath, J.
    Database searching for compounds with similar biological activity using short binary bit string representations,
    J. Chem. Inf. Comput. Sci., 1999, 39, 881-886.

  101. Xue, L.; Godden, J.W.; Gao, H; Bajorath, J.
    Identification of a preferred set of descriptors for compound classification based on principcal component analysis,
    J. Chem. Inf. Comput. Sci., 1999, 39, 669-704.

  102. Yamamoto, Y.; Shuto, S.; Tamura, Y.; Kodama, T.; Hoshika, S.; Ichikawa, S.; Ueno, Y.; Ohtsuka, E.; Komatsu, Y.; Matsuda, A.
    Oligodeoxynucleotides Having a Loop Consisting of 3'-Deoxy-4'-C-(2-hydroxyethyl)thymidines Form Stable Hairpins.
    Biochemistry, 2004, 43, 1218-1227.

  103. Yasri, A.; Hartsough, D.
    Toward an optimal procedure for variable selection and QSAR model building.
    J. Chem. Inf. Comput. Sci., 2001, 41, 8690-8699.

  104. Yoshida, K.; Niwa, T.
    Quantitative Structure-Activity Relationship Studies on Inhibition of HERG Potassium Channels.
    J. Chem. Inf. Model., 2006, 46, 1371-1378.

  105. Yoshikawa, Y.; Kobayashi, K.; Oishi, S.; Fujii, N.; Furuya, T.
    Molecular modeling study of cyclic pentapeptide CXCR4 antagonists: New insight into CXCR4--FC131 interactions,
    Bioorganic & medicinal chemistry letters, 2012, 22. 2146-2150. [NEW]

  106. Yoshikawa, Y.; Oishi, S.; Kubo, T.; Tanahara, N.; Fujii, N.; Furuya, T.
    An optimized method of G-protein coupled receptor homology modeling: its application to the discovery of novel CXCR7 ligands,
    Journal of medicinal chemistry, 2013 [NEW]

このページのトップへ

References citing ASEDock

  1. Anraku, K.; Inoue, T.; Sugimoto, K.; Kudo, K.; Okamoto, Y.; Morii, T.; Mori, Y.; Otsuka, M.
    Design and synthesis of biotinylated inositol 1,3,4,5-tetrakisphosphate targeting Grp1 pleckstrin homology domain,
    Bioorg. Med. Chem., 2011, 19. 6833 - 6841.

  2. Azuma, M.; Kabe, Y.; Kuramori, C.; Kondo, M.; Yamaguchi, Y.; Handa, H.
    Adenine Nucleotide Translocator Transports Haem Precursors into Mitochondria,
    PLoS ONE, 2008, 3. e3070.

  3. Cen, X.; Nitta, A.; Ibi, D.; Zhao, Y.; Niwa, M.; Taguchi, K.; Hamada, M.; Ito, Y.; Ito, Y.; Wang, L.; Nabeshima, T.
    Identification of Piccolo as a regulator of behavioral plasticity and dopamine transporter internalization,
    Mol Psychiatry, 2008, 13. 451-463.

  4. Chutiwitoonchai, N.; Hiyoshi, M.; Mwimanzi, P.; Ueno, T.; Adachi, A.; Ode, H.; Sato, H.; Fackler, O. T.; Okada, S.; Suzu, S.
    The Identification of a Small Molecule Compound That Reduces HIV-1 Nef-Mediated Viral Infectivity Enhancement,
    PLoS ONE, 2011, 6. e27696.

  5. Daiyasu, H.; Hirokawa, T.; Kamiya, N.; Toh, H.
    Computational analysis of ligand recognition mechanisms by prostaglandin E2 (subtype 2) and D2 receptors,
    Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2011, 130. 1131-1143.

  6. Dau, P.; Sakai, H.; Hirano, M.; Ishibashi, H.; Tanaka, Y.; Kameda, K.; Fujino, T.; Kim, E.; Iwata, H.
    Quantitative Analysis of the Interaction of Constitutive Androstane Receptor with Chemicals and Steroid Receptor Coactivator 1 Using Surface Plasmon Resonance Biosensor Systems: A Case Study of the Baikal Seal (Pusa sibirica) and the Mouse,
    Toxicological Sciences, 2012

  7. Govindaraj, R. G.; Manavalan, B.; Lee, G.; Choi, S.
    Molecular Modeling-Based Evaluation of hTLR10 and Identification of Potential Ligands in Toll-Like Receptor Signaling,
    PLoS ONE, 2010, 5. e12713-.

  8. Hakamata, W.; Ishikawa, R.; Ushijima, Y.; Tsukagoshi, T.; Tamura, S.; Hirano, T.; Nishio, T.
    Virtual ligand screening of ホア-glucosidase: Identification of a novel potent noncarbohydrate mimetic inhibitor,
    Bioorg. Med. Chem. Lett., 2012, 22. 62 - 64.

  9. Hasegawa, M.; Yasuda, Y.; Tanaka, M.; Nakata, K.; Umeda, E.; Wang, Y.; Watanabe, C.; Uetake, S.; Kunoh, T.; Shionyu, M.; Sasaki, R.; Shiina, I.; Mizukamia, T.
    A novel tamoxifen derivative, ridaifen-F, is a nonpeptidic small-molecule proteasome inhibitor,
    European Journal of Medicinal Chemistry, 2013[NEW]

  10. Hiasa, M.; Isoda, Y.; Kishimoto, Y.; Saitoh, K.; Kimura, Y.; Kanai, M.; Shibasaki, M.; Hatakeyama, D.; Kirino, Y.; Kuzuhara, T.
    Inhibition of monoamine oxidase A and stimulation of behavioural activities in mice by the inactive prodrug form of the anti-influenza agent oseltamivir,
    British Journal of Pharmacology, 2013.[NEW]

  11. Hidari, K. I.; Ikeda, K.; Watanabe, I.; Abe, T.; Sando, A.; Itoh, Y.; Tokiwa, H.; Morita, K.; Suzuki, T.
    3-O-sulfated glucuronide derivative as a potential anti-dengue virus agent,
    Biochem. Biophys. Res. Commun., 2012

  12. Hideaki Yamaguchi Yumi Kidachi, K. K. T. N. &a. H. U.
    Homology modeling and structural analysis of human P-glycoprotein,
    Bioinformation, 2012, 8 (22). 1066-1074.

  13. Hideaki Yamaguchi Yumi Kidachi, K. K. T. N. &a. H. U.
    Structural insight into the ligand-receptor interaction between glycyrrhetinic acid (GA) and the high-mobility group protein B1 (HMGB1)-DNA complex,
    Bioinformation, 2012, 8 (23). 1147-1153.

  14. Hirakawa, H.; Akita, H.; Fujiwara, T.; Sugai, M.; Kuhara, S.
    Structural insight into the binding mode between the targeting domain of ALE-1 (92AA) and pentaglycine of peptidoglycan,
    Protein Engineering, Design and Selection, 2009, 22. 385-391.

  15. Hou, D.-X.; Kumamoto, T.
    Flavonoids as Protein Kinase Inhibitors for Cancer Chemoprevention: Direct Binding and Molecular Modeling,
    Antioxid. Redox Signaling, 2010, 13. 691-719.

  16. Huang, J.; Hamasaki, T.; Ozoe, F.; Ozoe, Y.
    Single amino acid of an octopamine receptor as a molecular switch for distinct G protein couplings,
    Biochem. Biophys. Res. Commun., 2008, 371. 610-614.

  17. Iijima, S.; Lee, Y.-J.; Ode, H.; Arold, S.; Kimura, N.; Yokoyama, M.; Sato, H.; Tanaka, Y.; Strebel, K.; Akari, H.
    A non-canonical mu-1A-binding motif in the N-terminus of HIV-1 Nef determines its activity to down-regulate MHC-I in T lymphocytes,
    J. Virol., 2012

  18. Indarte, M.; Madura, J. D.; Surratt, C. K.
    Dopamine transporter comparative molecular modeling and binding site prediction using the LeuTAa leucine transporter as a template,
    Proteins: Struct., Funct., Bioinf., 2008, 70. 1033-1046.

  19. Isogai, H.; Hirayama, N.
    A Possible Molecular Mechanism of Immunomodulatory Activity of Bilirubin,
    International Journal of Medicinal Chemistry, 2013 [NEW]

  20. Isogai, H.; Miyadera, H.; Ueta, M.; Sotozono, C.; Kinoshita, S.; Tokunaga, K.; Hirayama, N.
    In Silico Risk Assessment of HLA-A* 02: 06-Associated Stevens-Johnson Syndrome and Toxic Epidermal Necrolysis Caused by Cold Medicine Ingredients,
    Journal of Toxicology, 2013 [NEW]

  21. Iwai, Y.; Murakami, K.; Gomi, Y.; Hashimoto, T.; Asakawa, Y.; Okuno, Y.; Ishikawa, T.; Hatakeyama, D.; Echigo, N.; Kuzuhara, T.
    Anti-Influenza Activity of Marchantins, Macrocyclic Bisbibenzyls Contained in Liverworts,
    PLoS ONE, 2011, 6. e19825.

  22. Iwaki, T.; Shiota, K.; Al-Taweel, K.; Kobayashi, D.; Kobayashi, A.; Suzuki, K.; Yui, T.; Wadano, A.
    Inhibition of RuBisCO cloned from Thermosynechococcus vulcanus and expressed in Escherichia coli with compounds predicted by Molecular Operation Environment (MOE),
    J. Biosci. Bioeng., 2008, 105. 26 - 33.

  23. Izuhara, Y.; Yamaoka, N.; Kodama, H.; Dan, T.; Takizawa, S.; Hirayama, N.; Meguro, K.; van Ypersele de Strihou, C.; Miyata, T.
    A novel inhibitor of plasminogen activator inhibitor-1 provides antithrombotic benefits devoid of bleeding effect in nonhuman primates,
    J Cereb Blood Flow Metab, 2010, 30. 904-912.

  24. Katayama, K.; Wakita, T.; Kanda, T.; Sato, H.
    Structural basis for specific recognition of substrates by sapovirus protease,
    Genomics and computational science for virus research, 2013, 122. [NEW]

  25. Kimura, T.; Hamada, Y.; Stochaj, M.; Ikari, H.; Nagamine, A.; Abdel-Rahman, H.; Igawa, N.; Hidaka, K.; Nguyen, J.-T.; Saito, K.; Hayashi, Y.; Kiso, Y.
    Design and synthesis of potent [beta]-secretase (BACE1) inhibitors with carboxylic acid bioisosteres,
    David W. Robertson Memorial Issue, Bioorg. Med. Chem. Lett., 2006, 16. 2380-2386.

  26. Kumamoto, T.; Fujii, M.; Hou, D.-X.
    Akt is a direct target for myricetin to inhibit cell transformation,
    Mol. Cell. Biochem., 2009, 332. 33-41.

  27. Kusakabe, K.; Tada, Y.; Iso, Y.; Sakagami, M.; Morioka, Y.; Chomei, N.; Shinonome, S.; Kawamoto, K.; Takenaka, H.; Yasui, K.; Hamana, H.; Hanasaki, K.
    Design, synthesis, and binding mode prediction of 2-pyridone-based selective CB2 receptor agonists
    Bioorganic & Medicinal Chemistry, 2013 [NEW]

  28. Manavalan, B.; Murugapiran, S.; Lee, G.; Choi, S.
    Molecular modeling of the reductase domain to elucidate the reaction mechanism of reduction of peptidyl thioester into its corresponding alcohol in non-ribosomal peptide synthetases,
    BMC Structural Biology, 2010, 10. 1.

  29. Masada, S.; Terasaka, K.; Oguchi, Y.; Okazaki, S.; Mizushima, T.; Mizukami, H.
    Functional and Structural Characterization of a Flavonoid Glucoside 1,6-Glucosyltransferase from Catharanthus roseus,
    Plant Cell Physiol., 2009, 50. 1401-1415.

  30. Mori, M.; Matsuki, K.; Maekawa, T.; Tanaka, M.; Sriwanthana, B.; Yokoyama, M.; Ariyoshi, K.
    Development of a Novel In Silico Docking Simulation Model for the Fine HIV-1 Cytotoxic T Lymphocyte Epitope Mapping,
    PLoS ONE, 2012, 7. e41703.

  31. Murayama, N.; Imai, N.; Nakane, T.; Shimizu, M.; Yamazaki, H.
    Roles of CYP3A4 and CYP2C19 in methyl hydroxylated and N-oxidized metabolite formation from voriconazole, a new anti-fungal agent, in human liver microsomes,
    Biochem. Pharmacol., 2007, 73. 2020 - 2026.

  32. Nishigori, M.; Nose, T.; Shimohigashi, Y.
    Highly potent binding and inverse agonist activity of bisphenol A derivatives for retinoid-related orphan nuclear receptor RORホウ,
    Toxicol. Lett., 2012, 212. 205 - 211.

  33. Ogola, H. J. O.; Kamiike, T.; Hashimoto, N.; Ashida, H.; Ishikawa, T.; Shibata, H.; Sawa, Y.
    Molecular Characterization of a Novel Peroxidase from the Cyanobacterium Anabaena sp. Strain PCC 7120,
    Appl. Environ. Microbiol., 2009, 75. 7509-7518.

  34. Okai, M.; Kubota, K.; Fukuda, M.; Nagata, Y.; Nagata, K.; Tanokura, M.
    Crystal Structure of [gamma]-Hexachlorocyclohexane Dehydrochlorinase LinA from Sphingobium japonicum UT26,
    J. Mol. Biol., 2010, 403. 260 - 269.

  35. Okamoto, S.; Yu, F.; Harada, H.; Okajima, T.; Hattan, J.-i.; Misawa, N.; Utsumi, R.
    A short-chain dehydrogenase involved in terpene metabolism from Zingiber zerumbet,
    FEBS Journal, 2011, 278. 2892-2900.

  36. Ordonez, P.; Hamasaki, T.; Isono, Y.; Sakakibara, N.; Ikejiri, M.; Maruyama, T.; Baba, M.
    Anti-human immunodeficiency virus type 1 activity of novel 6-substituted 1-benzyl-3-(3,5-dimethylbenzyl)uracil derivatives,
    Antimicrob. Agents Chemother., 2012

  37. Qin, H.-M.; Miyakawa, T.; Jia, M. Z.; Nakamura, A.; Ohtsuka, J.; Xue, Y.-L.; Kawashima, T.; Kasahara, T.; Hibi, M.; Ogawa, J.; others
    Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase from Burkholderia ambifaria AMMD,
    PloS one, 2013, 8. e63996. [NEW]

  38. Rahman, M. M.; Akiyoshi, Y.; Furutani, S.; Matsuda, K.; Furuta, K.; Ikeda, I.; Ozoe, Y.
    Competitive antagonism of insect GABA receptors by iminopyridazine derivatives of GABA,
    Bioorganic & Medicinal Chemistry, 2012

  39. Sakashita, H.; Akahoshi, F.; Yoshida, T.; Kitajima, H.; Hayashi, Y.; Ishii, S.; Takashina, Y.; Tsutsumiuchi, R.; Ono, S.
    Lead optimization of [(S)-[gamma]-(arylamino)prolyl]thiazolidine focused on [gamma]-substituent: Indoline compounds as potent DPP-IV inhibitors,
    Bioorg. Med. Chem., 2007, 15. 641-655.

  40. Sassa, A.; Niimi, N.; Fujimoto, H.; Katafuchi, A.; Grテコz, P.; Yasui, M.; Gupta, R. C.; Johnson, F.; Ohta, T.; Nohmi, T.
    Phenylalanine 171 is a molecular brake for translesion synthesis across benzo[a]pyrene-guanine adducts by human DNA polymerase kappa,
    Mutation Research/Genetic Toxicology and Environmental Mutagenesis, 2011, 718. 10 - 17.

  41. Seto, T.; Ozaki, M.; Nosaka, S.
    Molecular Docking of Barbital Enantiomers to the Nicotinic Acetylcholine Receptor:Implications for the Mechanism of Anesthesia,
    CBIJ, 2012, 12. 14-24.

  42. Suhara, Y.; Watanabe, M.; Motoyoshi, S.; Nakagawa, K.; Wada, A.; Takeda, K.; Takahashi, K.; Tokiwa, H.; Okano, T.
    Synthesis of New Vitamin K Analogues as Steroid and Xenobiotic Receptor (SXR) Agonists: Insights into the Biological Role of the Side Chain Part of Vitamin K,
    J. Med. Chem., 2011, 54. 4918-4922.

  43. Suhara, Y.; Watanabe, M.; Nakagawa, K.; Wada, A.; Ito, Y.; Takeda, K.; Takahashi, K.; Okano, T.
    Synthesis of Novel Vitamin K2 Analogues with Modification at the [omega]-Terminal Position and Their Biological Evaluation as Potent Steroid and Xenobiotic Receptor (SXR) Agonists,
    J. Med. Chem., 2011, 54. 4269-4273.

  44. Tatara, Y.; Lin, Y.-C.; Bamba, Y.; Mori, T.; Uchida, T.
    Dipentamethylene thiuram monosulfide is a novel inhibitor of Pin1,
    Biochem. Biophys. Res. Commun., 2009, 384. 394-398.

  45. Watanabe, Y.; Ibrahim, M. S.; Ellakany, H. F.; Kawashita, N.; Mizuike, R.; Hiramatsu, H.; Sriwilaijaroen, N.; Takagi, T.; Suzuki, Y.; Ikuta, K.
    Acquisition of Human-Type Receptor Binding Specificity by New H5N1 Influenza Virus Sublineages during Their Emergence in Birds in Egypt,
    PLoS Pathog, 2011, 7. e1002068.

  46. Xue, Y.-L.; Miyakawa, T.; Hayashi, Y.; Okamoto, K.; Hu, F.; Mitani, N.; Furihata, K.; Sawano, Y.; Tanokura, M.
    Isolation and Tyrosinase Inhibitory Effects of Polyphenols from the Leaves of Persimmon, Diospyros kaki,
    J. Agric. Food Chem., 2011, 59. 6011-6017.

  47. Yamaguchi, H.; Akitaya, T.; Yu, T.; Kidachi, Y.; Kamiie, K.; Noshita, T.; Umetsu, H.; Ryoyama, K.
    Molecular docking and structural analysis of cofactor-protein interaction between NAD<sup>+</sup> and 11ホイ-hydroxysteroid dehydrogenase type 2,
    J. Mol. Model., 2011, . 1-12.

  48. Yamaguchi, H.; Akitaya Tatsuo; Kidachi, Y.; Katsuyoshi Kamiie, H. U.
    Homology modeling and structural analysis of human ホウ-glutamylcysteine ligase catalytic subunit for antitumor drug development,
    J. Biophysical Chemistry, 2012, 3. 238-248.

  49. Yamaguchi, H.; Yu, T.; Kidachi, Y.; Akitaya, T.; Yoshida, K.; Kamiie, K.; Noshita, T.; Umetsu, H.; Ryoyama, K.
    Selective toxicity of glycyrrhetinic acid against tumorigenic r/m HM-SFME-1 cells is potentially attributed to downregulation of glutathione,
    Biochimie, 2011, 93. 1172 - 1178.

  50. Yamaguchi, H.; Yu, T.; Noshita, T.; Kidachi, Y.; Kamiie, K.; Yoshida, K.; Akitaya, T.; Umetsu, H.; Ryoyama, K.
    Ligand-receptor Interaction between Triterpenoids and the 11beta-Hydroxysteroid dehydrogenase type 2 (11beta HSD2) Enzyme Predicts Their Toxic Effects against Tumorigenic r/m HM-SFME-1 Cells,
    J. Biol. Chem., 2011, 286. 36888-36897.

  51. Yamakawa, N.; Suemasu, S.; Matoyama, M.; ichiro Tanaka, K.; Katsu, T.; Miyata, K.; Okamoto, Y.; Otsuka, M.; Mizushima, T.
    Synthesis and biological evaluation of loxoprofen derivatives,
    Bioorganic & Medicinal Chemistry, 2011, 19. 3299 - 3311.

  52. Yokoyama, M.; Mori, H.; Sato, H.
    Allosteric Regulation of HIV-1 Reverse Transcriptase by ATP for Nucleotide Selection,
    PLoS ONE, 2010, 5. e8867.

  53. Yoshikane, Y.; Tamura, A.; Yokochi, N.; Ellouze, K.; Yamamura, E.; Mizunaga, H.; Fujimoto, N.; Sakamoto, K.; Sawa, Y.; Yagi, T.
    Engineering Mesorhizobium loti pyridoxamine-pyruvate aminotransferase for production of pyridoxamine with l-glutamate as an amino donor,
    J. Mol. Catal. B: Enzym., 2010, 67. 104-110.

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References citing AutoQSAR

  1. Cherkasov, A.; Ban, F.; Santos-Filho, O.; Thorsteinson, N.; Fallahi, M.; Hammond, G. L.
    An Updated Steroid Benchmark Set and Its Application in the Discovery of Novel Nanomolar Ligands of Sex Hormone-Binding Globulin,
    Journal of Medicinal Chemistry, 2008, 51. 2047-2056.

  2. Hödl C, C.; Raunegger, K.; Strommer, R.; Ecker, G. F.; Kunert, O.; Sturm, S.; Seger, C.; Haslinger, E.; Steiner, R.; Strauss, W. S. L.; Schramm, H.-W.
    Syntheses and Antigestagenic Activity of Mifepristone Derivatives,
    Journal of Medicinal Chemistry, 2009, 52. 1268-1274.

  3. Hillebrecht, A.; Klebe, G.
    Use of 3D QSAR Models for Database Screening: A Feasibility Study,
    Journal of Chemical Information and Modeling, 2008, 48. 384-396.

  4. Takahashi, J.; Hijikuro, I.; Kihara, T.; Murugesh, M. G.; Fuse, S.; Kunimoto, R.; Tsumura, Y.; Akaike, A.; Niidome, T.; Okuno, Y.; Takahashi, T.; Sugimoto, H.
    Design, synthesis, evaluation and QSAR analysis of N1-substituted norcymserine derivatives as selective butyrylcholinesterase inhibitors,
    Bioorganic & Medicinal Chemistry Letters, 2010, 20. 1718 - 1720.

  5. Zhang, Y.; Hudock, M. P.; Krysiak, K.; Cao, R.; Bergan, K.; Yin, F.; Leon, A.; Oldfield, E.
    Activity of Sulfonium Bisphosphonates on Tumor Cell Lines,
    Journal of Medicinal Chemistry, 2007, 50. 6067-6079.

  6. Zhu, H.; Tropsha, A.; Fourches, D.; Varnek, A.; Papa, E.; Gramatica, P.; Oフ?erg, T.; Dao, P.; Cherkasov, A.; Tetko, I. V.
    Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis,
    Journal of Chemical Information and Modeling, 2008, 48. 766-784.


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