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	Compound library development guided by protein structure similarity clustering and natural product structure. [My Copy] Proc Natl Acad Sci U S A, Vol. 101, No. 48. (30 November 2004), pp. 16721-16726. by M. A. Koch, L. O. Wittenberg, S. Basu, et al.D. A. Jeyaraj, E. Gourzoulidou, K. Reinecke, A. Odermatt, H. Waldmann posted to design drug protein similarity by kuhn on 2006-01-20 08:36:18 as
	Development of a chemical structure comparison method for integrated analysis of chemical and genomic information in the metabolic pathways. [My Copy] J Am Chem Soc, Vol. 125, No. 39. (1 October 2003), pp. 11853-11865. by M. Hattori, Y. Okuno, S. Goto, M. Kanehisa posted to chemical metabolites structure by kuhn on 2005-09-09 16:16:12 as along with 4 people BragilMassoud beapen alexg Evangelia
	Metabolic Engineering in the -omics Era: Elucidating and Modulating Regulatory Networks. [My Copy] Microbiol Mol Biol Rev, Vol. 69, No. 2. (June 2005), pp. 197-216. by G. N. Vemuri, A. A. Aristidou posted to bioinformatics metabolites by kuhn on 2005-06-14 18:45:38 as along with 3 people and 1 group operon JeremyZucker athleem MetabolicModeling
	Discovery of the first nonpeptidic, small-molecule, highly selective somatostatin receptor subtype 5 antagonists: a chemogenomics approach. [My Copy] J Med Chem, Vol. 50, No. 25. (13 December 2007), pp. 6291-6294. by R. E. Martin, L. G. Green, W. Guba, N. Kratochwil, A. Christ posted to drug drugdiscovery screening by kuhn on 2008-01-18 16:02:24 as
	Analysis of System Structure-Function Relationships [My Copy] ChemMedChem, Vol. 2, No. 12. (2007), pp. 1774-1782. by Anton F. Fliri, William T. Loging, Robert A. Volkmann posted to activity_profile biospectra side_effects similarity by kuhn on 2008-01-18 13:21:14 as
	Keynote review: in vitro safety pharmacology profiling: an essential tool for successful drug development. [My Copy] Drug Discov Today, Vol. 10, No. 21. (1 November 2005), pp. 1421-1433. by S. Whitebread, J. Hamon, D. Bojanic, L. Urban posted to drug drugdiscovery review side_effects by kuhn on 2008-01-14 10:20:32 as
	From Astemizole to a Novel Hit Series of Small-Molecule Somatostatin 5 Receptor Antagonists via GPCR Affinity Profiling [My Copy] J. Med. Chem., Vol. 50, No. 25. (13 December 2007), pp. 6295-6298. by Wolfgang Guba, Luke G. Green, Rainer E. Martin, et al.Olivier Roche, Nicole Kratochwil, Harald Mauser, Caterina Bissantz, Andreas Christ, Martin Stahl posted to activity_profile drugdiscovery gpcr by kuhn on 2008-01-11 13:24:18 as
	Predicting ADME properties and side effects: the BioPrint approach. [My Copy] Curr Opin Drug Discov Devel, Vol. 6, No. 4. (July 2003), pp. 470-480. by C. M. Krejsa, D. Horvath, S. L. Rogalski, et al.J. E. Penzotti, B. Mao, F. Barbosa, J. C. Migeon posted to biospectra drugdiscovery by kuhn on 2007-12-20 15:38:41 as
	Integrating high-content screening and ligand-target prediction to identify mechanism of action. [My Copy] Nat Chem Biol, Vol. 4, No. 1. (January 2008), pp. 59-68. by D. W. Young, A. Bender, J. Hoyt, et al.E. McWhinnie, G. W. Chirn, C. Y. Tao, J. A. Tallarico, M. Labow, J. L. Jenkins, T. J. Mitchison, Y. Feng posted to activity_profile drugdiscovery screening by kuhn on 2007-12-20 14:39:42 as along with 3 people Yanno guhjy kengg
	The selectivity of protein kinase inhibitors: a further update. [My Copy] The Biochemical journal, Vol. 408, No. 3. (15 December 2007), pp. 297-315. by Jenny Bain, Lorna Plater, Matt Elliott, et al.Natalia Shpiro, C. James Hastie, Hilary McLauchlan, Iva Klevernic, J. Simon Arthur, Dario R. Alessi, Philip Cohen posted to activity_profile kinase by kuhn on 2007-12-20 14:38:09 as along with 2 people guhjy pbarker
	Remediation of the protein data bank archive [My Copy] Nucl. Acids Res. (11 December 2007), gkm937. by Kim Henrick, Zukang Feng, Wolfgang F. Bluhm, et al.Dimitris Dimitropoulos, Jurgen F. Doreleijers, Shuchismita Dutta, Judith L. Flippen-Anderson, John Ionides, Chisa Kamada, Eugene Krissinel, Catherine L. Lawson, John L. Markley, Haruki Nakamura, Richard Newman, Yukiko Shimizu, Jawahar Swaminathan, Sameer Velankar, Jeramia Ory, Eldon L. Ulrich, Wim Vranken, John Westbrook, Reiko Yamashita, Huanwang Yang, Jasmine Young, Muhammed Yousufuddin, Helen M. Berman posted to database protein structure by kuhn on 2007-12-12 12:30:03 as
	New uses for old drugs. [My Copy] Nature, Vol. 448, No. 7154. (9 August 2007), pp. 645-646. by Curtis R. Chong, David J. Sullivan posted to activity_profile drug drugdiscovery by kuhn on 2007-11-21 15:58:20 as along with 1 person ekotelnikova
	Recognizing and exploiting differences between RNAi and small-molecule inhibitors [My Copy] Nat Chem Biol, Vol. 3, No. 12. (December 2007), pp. 739-744. by William A. Weiss, Stephen S. Taylor, Kevan M. Shokat posted to kinase phenotype screening sirna by kuhn on 2007-11-19 14:01:13 as along with 1 person guhjy
	A conformational restriction approach to the development of dual inhibitors of acetylcholinesterase and serotonin transporter as potential agents for Alzheimer's disease [My Copy] Bioorganic & Medicinal Chemistry, Vol. 11, No. 20. (October 2003), pp. 4389-4415. by Narihiro Toda, Keiko Tago, Shinji Marumoto, et al.Kazuko Takami, Mayuko Ori, Naho Yamada, Kazuo Koyama, Shunji Naruto, Kazumi Abe, Reina Yamazaki, Takao Hara, Atsushi Aoyagi, Yasuyuki Abe, Tsugio Kaneko, Hiroshi Kogen posted to drug drugdiscovery by kuhn on 2007-11-16 15:07:58 as
	Chemogenomics: an emerging strategy for rapid target and drug discovery [My Copy] Nat Rev Genet, Vol. 5, No. 4. (April 2004), pp. 262-275. by Markus Bredel, Edgar Jacoby posted to chemical drugdiscovery genomics by kuhn on 2007-10-23 16:35:24 as along with 2 people mingzhi Yanno
	Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors. [My Copy] J Med Chem, Vol. 49, No. 23. (16 November 2006), pp. 6802-6810. by J. H. Nettles, J. L. Jenkins, A. Bender, Z. Deng, J. W. Davies, M. Glick posted to chemical similarity structure by kuhn on 2007-10-23 14:49:33 as along with 1 person tjimenez
	A Novel Chemogenomics Knowledge-Based Ligand Design Strategy - Application to G Protein-Coupled Receptors [My Copy] Quantitative Structure-Activity Relationships, Vol. 20, No. 2. (2001), pp. 115-123. by Edgar Jacoby posted to drugdiscovery gpcr by kuhn on 2007-10-23 14:12:55 as
	Quantitative chemical proteomics reveals mechanisms of action of clinical ABL kinase inhibitors [My Copy] Nat Biotech, Vol. 25, No. 9. (2007), pp. 1035-1044. by Marcus Bantscheff, Dirk Eberhard, Yann Abraham, et al.Sonja Bastuck, Markus Boesche, Scott Hobson, Toby Mathieson, Jessica Perrin, Manfred Raida, Christina Rau, Valerie Reader, Gavain Sweetman, Andreas Bauer, Tewis Bouwmeester, Carsten Hopf, Ulrich Kruse, Gitte Neubauer, Nigel Ramsden, Jens Rick, Bernhard Kuster, Gerard Drewes posted to activity_profile drug kinase by kuhn on 2007-10-23 13:54:07 as along with 2 people guhjy apostola
	A priori inference of cross reactivity for drug-targeted kinases. [My Copy] J Med Chem, Vol. 49, No. 11. (1 June 2006), pp. 3092-3100. by A. Fernandez, S. Maddipati posted to activity_profile drug kinase by kuhn on 2007-10-23 13:50:50 as along with 2 people BragilMassoud tjimenez
	Systematic analysis of enzyme-catalyzed reaction patterns and prediction of microbial biodegradation pathways. [My Copy] J Chem Inf Model, Vol. 47, No. 4. (g 2007), pp. 1702-1712. by M. Oh, T. Yamada, M. Hattori, S. Goto, M. Kanehisa posted to enzyme pathways reactions by kuhn on 2007-10-23 10:56:14 as along with 1 person pauldobson
	The human disease network [My Copy] Proceedings of the National Academy of Sciences, Vol. 104, No. 21. (22 May 2007), pp. 8685-8690. by Kwang-Il Goh, Michael E. Cusick, David Valle, Barton Childs, Marc Vidal, Albert-László Barabási posted to disease interaction networks protein by kuhn on 2007-10-19 12:00:41 as along with 42 people and 9 groups tomhebbron icecrown frohike robfsouza bertelsen smichan biomcgary pawelsobko CurAbility Scis0000002 qluo cbforrest daforerog nedwards Dulcinea saket kaarsinogen roys Yanno guhjy aalibes cannin jfr yas balicea neveaire bundschu raiyar grahamc joepickrell leSyl henning dejori xingxu winterschlaefer naegele shoshin shikin nolodie mingzhi carlk yaredo Network Analysis of Genes Regulated in Renal Diseases Biostatistics Computational-Genomics Bioinformatics Neuroscience steinmetzlab ic4 generif_paper GomezLab
	Complementarity between public and commercial databases: new opportunities in medicinal chemistry informatics. [My Copy] Curr Top Med Chem, Vol. 7, No. 15. (2007), pp. 1502-1508. by C. Southan, P. Várkonyi, S. Muresan posted to chemical database by kuhn on 2007-10-02 17:14:08 as along with 3 people jmuhlich sorelmuresan richardbickerton
	Chemical similarity searching [My Copy] JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, Vol. 38, No. 6. (1998), pp. 983-996. by P. Willett, J. M. Barnard, G. M. Downs posted to chemical similarity by kuhn on 2007-09-12 13:46:00 as along with 1 person jerome
	Acquired QT interval prolongation and HERG: implications for drug discovery and development. [My Copy] Eur J Pharmacol, Vol. 500, No. 1-3. (1 October 2004), pp. 129-142. by K. Finlayson, H. J. Witchel, J. McCulloch, J. Sharkey posted to drug side_effects by kuhn on 2007-09-03 16:00:25 as
	Muscarinic acetylcholine receptors: mutant mice provide new insights for drug development [My Copy] Nature Reviews Drug Discovery, Vol. 6, No. 9., pp. 721-733. by Jürgen Wess, Richard M. Eglen, Dinesh Gautam posted to drug drugdiscovery by kuhn on 2007-09-03 13:48:39 as along with 2 people and 2 groups guhjy dchughes G4ID Genetics-of-Gambling
	Predicting undesirable drug interactions with promiscuous proteins in silico [My Copy] Drug Discovery Today, Vol. 9, No. 6. (15 March 2004), pp. 276-285. by S. Ekins posted to drug interaction promiscuity protein side_effects by kuhn on 2007-08-20 09:59:55 as along with 4 people pablocarb pauldobson tomb girschick
	Evidence for Possible Involvement of 5-HT2B Receptors in the Cardiac Valvulopathy Associated With Fenfluramine and Other Serotonergic Medications [My Copy] Circulation, Vol. 102, No. 23. (5 December 2000), pp. 2836-2841. by Richard B. Rothman, Michael H. Baumann, Jason E. Savage, et al.Laura Rauser, Ace Mcbride, Sandra J. Hufeisen, Bryan L. Roth posted to drug side_effects by kuhn on 2007-08-20 09:54:01 as
	Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off-Target Effects from Chemical Structure [My Copy] ChemMedChem, Vol. 2, No. 6. (2007), pp. 861-873. by Andreas Bender, Josef Scheiber, Meir Glick, et al. John w, Kamal Azzaoui, Jacques Hamon, Laszlo Urban, Steven Whitebread, Jeremy l posted to drug p pharmacology prediction side_effects by kuhn on 2007-08-17 14:53:36 as along with 1 person apostola
	Comparing classical pathways and modern networks: towards the development of an edge ontology [My Copy] Trends in Biochemical Sciences, Vol. In Press, Corrected Proof by Long J. Lu, Andrea Sboner, Yuanpeng J. Huang, et al.Hao X. Lu, Tara A. Gianoulis, Kevin Y. Yip, Philip M. Kim, Gaetano T. Montelione, Mark B. Gerstein posted to interaction networks pathways by kuhn on 2007-08-08 09:15:02 as along with 5 people pauldobson sivaramanb thomaskelder andrawaagmeester lenov
	Pharmacological implications of two distinct mechanisms of interaction of memantine with N-methyl-D-aspartate-gated channels. [My Copy] J Pharmacol Exp Ther, Vol. 314, No. 3. (September 2005), pp. 961-971. by H. S. Chen, S. A. Lipton posted to drug interaction protein by kuhn on 2007-08-08 09:10:37 as
	Neural computing in cancer drug development: predicting mechanism of action [My Copy] Science, Vol. 258, No. 5081. (16 October 1992), pp. 447-451. by Jn Weinstein, Kw Kohn, Mr Grever, et al.Vn Viswanadhan, Lv Rubinstein, Ap Monks, Da Scudiero, L. Welch, Ad Koutsoukos, Aj Chiausa, Al Et posted to cancer machine_learning by kuhn on 2007-08-08 09:01:25 as
	NCBI reference sequences (RefSeq): a curated non-redundant sequence database of genomes, transcripts and proteins. [My Copy] Nucleic Acids Res, Vol. 35, No. Database issue. (January 2007) by K. D. Pruitt, T. Tatusova, D. R. Maglott posted to database protein by kuhn on 2007-08-08 08:39:02 as along with 4 people and 1 group jjray indigoviolet incovoma ninch EisenLab
	Ensembl 2007. [My Copy] Nucleic acids research, Vol. 35, No. Database issue. (January 2007) by T. J. Hubbard, B. L. Aken, K. Beal, et al.B. Ballester, M. Caccamo, Y. Chen, L. Clarke, G. Coates, F. Cunningham, T. Cutts, T. Down, S. C. Dyer, S. Fitzgerald, J. Fernandez-Banet, S. Graf, S. Haider, M. Hammond, J. Herrero, R. Holland, K. Howe, K. Howe, N. Johnson, A. Kahari, D. Keefe, F. Kokocinski, E. Kulesha, D. Lawson, I. Longden, C. Melsopp, K. Megy, P. Meidl, B. Ouverdin, A. Parker, A. Prlic, S. Rice, D. Rios, M. Schuster, I. Sealy, J. Severin, G. Slater, D. Smedley, G. Spudich, S. Trevanion, A. Vilella, J. Vogel, S. White, M. Wood, T. Cox, V. Curwen, R. Durbin, X. M. Fernandez-Suarez, P. Flicek, A. Kasprzyk, G. Proctor, S. Searle, J. Smith, A. Ureta-Vidal, E. Birney posted to database protein by kuhn on 2007-08-08 08:36:08 as along with 12 people and 2 groups gjuggler timhubbard ilyashl dullhunk massivemayhem incovoma Garamonfok asddd loopback007 flexer skumagai kcrawlik References for 3DSim paper Cancer_Stem_Cells
	Representations of molecular pathways: an evaluation of SBML, PSI MI and BioPAX. [My Copy] Bioinformatics (Oxford, England), Vol. 21, No. 24. (15 December 2005), pp. 4401-4407. by L. Strömbäck, P. Lambrix posted to bioinformatics pathways tool by kuhn on 2007-08-07 15:36:00 as along with 6 people and 2 groups fgibson allysonlister agomez balajis wnpx dagmar dIEMoSIRIS compneur
	Extraction of regulatory gene/protein networks from Medline. [My Copy] Bioinformatics (26 July 2005) by Jasmin Saric, Lars Juhl J. Jensen, Rossitza Ouzounova, Isabel Rojas, Peer Bork posted to textmining by kuhn on 2007-08-07 15:27:35 as along with 4 people and 1 group balajis caporaso helliontroy larsjuhljensen biomedical-nlp
	Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics. [My Copy] Current pharmaceutical design, Vol. 12, No. 17. (2006), pp. 2111-2120. by C. Steinbeck, C. Hoppe, S. Kuhn, M. Floris, R. Guha, E. L. Willighagen posted to chemical similarity tool by kuhn on 2007-08-07 15:27:05 as along with 3 people flbarroso egonw noby
	Stereospecific determination, chiral inversion in vitro and pharmacokinetics in humans of the enantiomers of thalidomide. [My Copy] Chirality, Vol. 7, No. 1. (1995), pp. 44-52. by T. Eriksson, S. Björkman, B. Roth, A. Fyge, P. Höglund posted to drug pharmacology by kuhn on 2007-08-07 15:24:59 as
	Reactome: a knowledgebase of biological pathways. [My Copy] Nucleic acids research, Vol. 33, No. Database issue. (1 January 2005) by G. Joshi-Tope, M. Gillespie, I. Vastrik, et al.P. D'Eustachio, E. Schmidt, B. de Bono, B. Jassal, G. R. Gopinath, G. R. Wu, L. Matthews, S. Lewis, E. Birney, L. Stein posted to database pathways by kuhn on 2007-08-07 15:20:35 as along with 11 people and 1 group daforerog fisherp reyez aalibes yas dullhunk duartemolha massivemayhem cerami yggdrasil guhjy T_lab
	MetaCyc: a multiorganism database of metabolic pathways and enzymes. [My Copy] Nucleic acids research, Vol. 34, No. Database issue. (1 January 2006) by Ron Caspi, Hartmut Foerster, Carol A. Fulcher, et al.Rebecca Hopkinson, John Ingraham, Pallavi Kaipa, Markus Krummenacker, Suzanne Paley, John Pick, Seung Y. Rhee, Christophe Tissier, Peifen Zhang, Peter D. Karp posted to database pathways by kuhn on 2007-08-07 15:17:17 as along with 1 person and 1 group jberro Projet_ENSIMAG
	ChemDB update full-text search and virtual chemical space [My Copy] Bioinformatics, Vol. 23, No. 17. (1 September 2007), pp. 2348-2351. by Jonathan H. Chen, Erik Linstead, S. Joshua Swamidass, Dennis Wang, Pierre Baldi posted to chemical database by kuhn on 2007-08-07 15:11:41 as along with 3 people guhjy massivemayhem baldigroup
	Database resources of the National Center for Biotechnology Information. [My Copy] Nucleic Acids Res, Vol. 35, No. Database issue. (January 2007) by D. L. Wheeler, T. Barrett, D. A. Benson, et al.S. H. Bryant, K. Canese, V. Chetvernin, D. M. Church, M. DiCuccio, R. Edgar, S. Federhen, L. Y. Geer, Y. Kapustin, O. Khovayko, D. Landsman, D. J. Lipman, T. L. Madden, D. R. Maglott, J. Ostell, V. Miller, K. D. Pruitt, G. D. Schuler, E. Sequeira, S. T. Sherry, K. Sirotkin, A. Souvorov, G. Starchenko, R. L. Tatusov, T. A. Tatusova, L. Wagner, E. Yaschenko posted to chemical database by kuhn on 2007-08-07 15:09:23 as along with 5 people and 1 group cyrille balajis dullhunk cat_worth Gaetan structural_bioinformatics
	A Cheminformatic Toolkit for Mining Biomedical Knowledge. [My Copy] Pharm Res (24 March 2007) by Gus R. Rosania, Gordon Crippen, Peter Woolf, David States, Kerby Shedden posted to chemical database interaction by kuhn on 2007-07-26 12:31:29 as along with 2 people and 2 groups Effie guhjy NaCTeM Bioinformatics
	Large-Scale Annotation of Small-Molecule Libraries Using Public Databases. [My Copy] J Chem Inf Model (3 July 2007) by Yingyao Zhou, Bin Zhou, Kaisheng Chen, et al.S F. Yan, Frederick J. King, Shumei Jiang, Elizabeth A. Winzeler posted to chemical database interaction by kuhn on 2007-07-26 12:31:15 as
	Elucidating mechanisms of drug-induced toxicity [My Copy] Nature Reviews Drug Discovery, Vol. 4, No. 5. (01 May 2005), pp. 410-420. by Daniel C. Liebler, F. Peter Guengerich posted to drug review side_effects by kuhn on 2007-07-23 10:17:03 as
	Six-fold speed-up of Smith-Waterman sequence database searches using parallel processing on common microprocessors. [My Copy] Bioinformatics, Vol. 16, No. 8. (August 2000), pp. 699-706. by T. Rognes, E. Seeberg posted to alignment protein by kuhn on 2007-07-11 08:39:06 as along with 1 person jofiel
	Nifedipine enhances amoxicillin absorption kinetics and bioavailability in humans. [My Copy] J Pharmacol Exp Ther, Vol. 255, No. 1. (October 1990), pp. 312-317. by J. F. Westphal, J. H. Trouvin, A. Deslandes, C. Carbon posted to drug interaction by kuhn on 2007-07-09 13:33:51 as
	The Multiplicity of Serotonin Receptors: Uselessly Diverse Molecules or an Embarrassment of Riches? [My Copy] Neuroscientist, Vol. 6, No. 4. (1 August 2000), pp. 252-262. by Brian L. Roth, Estelle Lopez, Shamil Patel, Wesley K. Kroeze posted to chemical database protein by kuhn on 2007-06-09 09:33:43 as
	Error bars in experimental biology [My Copy] J. Cell Biol. In J. Cell Biol., Vol. 177, No. 1. (9 April 2007), pp. 7-11. by Geoff Cumming, Fiona Fidler, David L. Vaux posted to review statistics by kuhn on 2007-06-06 14:39:53 as along with 59 people and 5 groups Yanno rka2p chriscole Jporci pjmaybank inbetweener tt srmblack abhishek_tiwari druvus bangyuzhou schoeband brianb cambray dbikard rec3141 ajaymalik Gorzomagnificent daforerog sen_cheng yangjustinc maximilianh qwermish bayesian ntakano flips inesdesantiago brian ana batallah manduca Borelli dayjm kristina chad_davis tny dullhunk rabu lechristophe nelmor jdelcampo fishtank emmahe lisa1 Daria_G devender bmaust cabbagezs natstreet winterschlaefer krokicki loopback007 wilbur tdmckee renatomilani delenca arindrartow guhjy mjoach structural_bioinformatics Bioinformatics VisionLab FlowCytometry Microbial-Ecology
	The relationship between the sequence identities of alpha helical proteins in the PDB and the molecular similarities of their ligands. [My Copy] J Chem Inf Comput Sci, Vol. 41, No. 6. (c 2001), pp. 1617-1622. by J. B. Mitchell posted to chemical pdb protein similarity structure by kuhn on 2007-06-06 13:44:13 as
	Prediction of missing enzyme genes in a bacterial metabolic network: Reconstruction of the lysine-degradation pathway of Pseudomonas aeruginosa [My Copy] FEBS Journal, Vol. 274, No. 9. (May 2007), pp. 2262-2273. by Yamanishi, Yoshihiro, Mihara, et al. Hisaaki, Osaki, Motoharu, Muramatsu, Hisashi, Esaki, Nobuyoshi, Sato, Tetsuya, Hizukuri, Yoshiyuki, Goto, Susumu, Kanehisa, Minoru posted to chemical pathways prediction by kuhn on 2007-06-05 08:53:55 as along with 2 people cdallett shung

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