jerome's library 97 articles Export

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	Protein therapeutics: a summary and pharmacological classification [My Copy] Nature Reviews Drug Discovery, Vol. 7, No. 1., pp. 21-39. by Benjamin Leader, Quentin J. Baca, David E. Golan posted to no-tag by jerome on 2008-01-04 18:25:57 as along with 1 person guhjy
	Drugs in other drugs: a new look at drugs as fragments [My Copy] Drug Discovery Today, Vol. 12, No. 1-2. (January 2007), pp. 71-79. by Miles G. Siegel, Michal Vieth posted to substructural_analysis reuse polypharmacology multitargets by jerome on 2007-01-23 23:50:37 as along with 2 people JALumley jerome_ucsf_slb
	Multi-target therapeutics: when the whole is greater than the sum of the parts. [My Copy] Drug discovery today, Vol. 12, No. 1-2. (January 2007), pp. 34-42. by G. R. Zimmermann, J. Lehár, C. T. Keith posted to review polypharmacology multitargets by jerome on 2007-01-23 23:46:49 as along with 5 people richardbickerton sameersoi rmk guhjy schuylrp
	Drug-target identification in Drosophila cells: combining high-throughout RNAi and small-molecule screens [My Copy] Drug Discovery Today, Vol. 12, No. 1-2. (January 2007), pp. 28-33. by Norbert Perrimon, Adam Friedman, Bernard Mathey-Prevot, Ulrike S. Eggert posted to review polypharmacology multitargets by jerome on 2007-01-23 23:45:10 as along with 1 person guhjy
	Ligand efficiency and fragment-based drug discovery. [My Copy] Drug discovery today, Vol. 14, No. 5-6. (30 March 2009), pp. 278-283. by Scott D. Bembenek, Brett A. Tounge, Charles H. Reynolds posted to chemical_space docking fragment modeling raymond_john scaffold by jerome on 2009-03-23 07:58:41 as along with 3 people higueruelo sschurer pslee
	Tyramine fragment binding to BACE-1 [My Copy] Bioorganic & Medicinal Chemistry Letters, Vol. 18, No. 4. (15 February 2008), pp. 1304-1307. by A. Kuglstatter, M. Stahl, J. Peters, et al.W. Huber, M. Stihle, D. Schlatter, J. Benz, A. Ruf, D. Roth, T. Enderle posted to no-tag by jerome on 2009-03-13 12:46:17 as
	Strategies for compound selection. [My Copy] Current drug discovery technologies, Vol. 1, No. 3. (October 2004), pp. 211-220. by M. M. Olah, C. G. Bologa, T. I. Oprea posted to chemical_space compound_selection by jerome on 2008-09-24 13:58:19 as
	Statistical Analysis of the Effects of Common Chemical Substituents on Ligand Potency [My Copy] J. Med. Chem. (4 January 2008) by Philip J. Hajduk, Daryl R. Sauer posted to no-tag by jerome on 2008-01-04 18:29:57 as along with 3 people massivemayhem higueruelo JALumley
	G-protein-coupled receptors: Crystal clear [My Copy] Nature Reviews Drug Discovery, Vol. 7, No. 1., pp. 19-19. by Charlotte Harrison posted to no-tag by jerome on 2008-01-04 18:28:43 as along with 1 person psique
	The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy) [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 1. (1 January 2008), pp. 25-26. by Stephen R. Johnson posted to no-tag by jerome on 2008-01-04 18:26:48 as along with 5 people and 1 group alexhakkinen klexa daevans skydream elvinado Cheminformatics
	Binding similarity network of ligand [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 71, No. 2. (2008), pp. 960-971. by Keunwan Park, Dongsup Kim posted to polypharmacology networks multitargets by jerome on 2009-08-25 10:36:24 as along with 2 people and 1 group sschurer sobolevnrm baker-group
	French/European academic compound library initiative [My Copy] Drug Discovery Today, Vol. 14, No. 15-16. (09 August 2009), pp. 723-725. by Marcel F. Hibert posted to chemical_space compound_selection library_design by jerome on 2009-08-03 07:54:38 as
	Drug discovery chemistry: a primer for the non-specialist. [My Copy] Drug discovery today, Vol. 14, No. 15-16. (2 August 2009), pp. 731-744. by Allan M. Jordan, Stephen D. Roughley posted to chemistry computational_chemistry drug_discovery nomenclature review by jerome on 2009-08-03 07:51:41 as along with 4 people and 1 group richardbickerton pmung zimbo1 jmccammon McCammon
	Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions [My Copy] Journal of Cheminformatics, Vol. 1, No. 1. (2009), 8. by Peter Ertl, Ansgar Schuffenhauer posted to accessibility prediction schuffenhauer_ansgar statistics synthetic by jerome on 2009-07-21 11:33:14 as
	Challenges of fragment screening [My Copy] Journal of Computer-Aided Molecular Design, Vol. 23, No. 8. (1 August 2009), pp. 449-451. by Diane Joseph-Mccarthy posted to experimental fragment hts hts_analysis review by jerome on 2009-07-13 09:12:33 as along with 3 people klexa higueruelo ubcg08l
	Homology modeling in drug discovery: current trends and applications [My Copy] Drug Discovery Today, Vol. 14, No. 13-14. (05 July 2009), pp. 676-683. by Claudio N. Cavasotto, Sharangdhar S. Phatak posted to homology model modeling review by jerome on 2009-07-13 09:09:42 as along with 2 people agomez sschurer
	Navigating structure-activity landscapes. [My Copy] Drug discovery today, Vol. 14, No. 13-14. (04 July 2009), pp. 698-705. by Jürgen Bajorath, Lisa Peltason, Mathias Wawer, Rajarshi Guha, Michael S. Lajiness, John H. Van Drie posted to activity modeling quantitative sar substructural_analysis by jerome on 2009-07-13 09:08:45 as along with 5 people jbesnard Yanno abhishek_tiwari richardbickerton sschurer
	Generation of a Set of Simple, Interpretable ADMET Rules of Thumb [My Copy] J. Med. Chem., Vol. 51, No. 4. (28 February 2008), pp. 817-834. by Paul M. Gleeson posted to admet by jerome on 2009-06-09 17:10:37 as along with 1 person middledomain
	Recent Developments in Fragment-Based Drug Discovery [My Copy] Journal of Medicinal Chemistry, Vol. 51, No. 13. (1 July 2008), pp. 3661-3680. by Miles Congreve, Gianni Chessari, Dominic Tisi, Andrew J. Woodhead posted to no-tag by jerome on 2009-06-09 17:10:06 as along with 5 people and 1 group hmk ubcg08l higueruelo vaibhavdixit4 pslee Fragment Based Drug Discovery
	Natural products as leads to potential drugs: an old process or the new hope for drug discovery? [My Copy] Journal of medicinal chemistry, Vol. 51, No. 9. (8 May 2008), pp. 2589-2599. by D. J. Newman posted to no-tag by jerome on 2009-06-09 17:08:34 as along with 1 person jerome_ucsf_slb
	The Many Roles for Fluorine in Medicinal Chemistry [My Copy] Journal of Medicinal Chemistry, Vol. 51, No. 15. (2008), pp. 4359-4369. by William K. Hagmann posted to structure_based_virtual_screening by jerome on 2009-06-09 17:07:11 as along with 1 person vaibhavdixit4
	Healthy skepticism: assessing realistic model performance [My Copy] Drug Discovery Today, Vol. 14, No. 7-8. (April 2009), pp. 420-427. by Scott P. Brown, Steven W. Muchmore, Philip J. Hajduk posted to docking modeling prediction protein_ligand_interaction quantitative statistics by jerome on 2009-04-14 08:14:46 as
	APP binds DR6 to trigger axon pruning and neuron death via distinct caspases [My Copy] Nature, Vol. 457, No. 7232. (19 February 2009), pp. 981-989. by Anatoly Nikolaev, Todd Mclaughlin, Dennis D. O/'leary, Marc Tessier-Lavigne posted to biology experimental structural_biology by jerome on 2009-04-14 08:06:10 as along with 3 people fool_on_hill chiufanlee rwdaniels
	Halogen Bonding: A Novel Interaction for Rational Drug Design? [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 9. (14 May 2009), pp. 2854-2862. by Yunxiang Lu, Ting Shi, Yong Wang, et al.Huaiyu Yang, Xiuhua Yan, Xiaoming Luo, Hualiang Jiang, Weiliang Zhu posted to flurorine geometry prediction protein_ligand_interaction by jerome on 2009-04-14 08:03:51 as along with 2 people massivemayhem higueruelo
	Heteroaromatic Rings of the Future [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 9. (14 May 2009), pp. 2952-2963. by William R. Pitt, David M. Parry, Benjamin G. Perry, Colin R. Groom posted to chemical_space chemotypes_definition raymond_john scaffold scaffold_hopping substructural_analysis by jerome on 2009-04-14 08:02:24 as along with 5 people and 1 group wozzza goncalojustino alfons ubcg08l higueruelo Cross Research Group
	Structure-Based Design and Synthesis of Macroheterocyclic Peptidomimetic Inhibitors of the Aspartic Protease β-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 15. (1 July 2006), pp. 4544-4567. by Stephen Hanessian, Gaoqiang Yang, Jean-Michel Rondeau, Ulf Neumann, Claudia Betschart, Marina Tintelnot-Blomley posted to no-tag by jerome on 2009-03-29 22:40:44 as
	Fluorine in Medicinal Chemistry [My Copy] ChemBioChem, Vol. 5, No. 5. (2004), pp. 637-643. by Hans-Joachim Böhm, David Banner, Stefanie Bendels, et al.Manfred Kansy, Bernd Kuhn, Klaus Müller, Ulrike Obst-Sander, Martin Stahl posted to flurorine modeling protein_ligand_interaction roche by jerome on 2009-03-13 12:49:37 as along with 1 person allmensch
	Fluorine in Pharmaceuticals: Looking Beyond Intuition [My Copy] Science, Vol. 317, No. 5846. (28 September 2007), pp. 1881-1886. by Klaus Muller, Christoph Faeh, Francois Diederich posted to flurorine geometry modeling protein_ligand_interaction roche by jerome on 2009-03-13 12:48:42 as along with 3 people and 1 group allmensch sobolevnrm ivke baker-group
	Binding Site Similarity Analysis for the Functional Classification of the Protein Kinase Family [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 2. (23 February 2009), pp. 318-329. by Sarah L. Kinnings, Richard M. Jackson posted to binding_site by jerome on 2009-02-19 13:27:50 as along with 5 people mnishimu nickolay Klapampfer carlosjavierna reyez
	OSIRIS, an Entirely in-House Developed Drug Discovery Informatics System [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Thomas Sander, Joel Freyss, Modest von Korff, Jacqueline R. Reich, Christian Rufener posted to no-tag by jerome on 2009-02-19 13:24:52 as along with 3 people JALumley zimbo1 reyez
	Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Josef Scheiber, Bin Chen, Mariusz Milik, et al.Sai C. Sukuru, Andreas Bender, Dmitri Mikhailov, Steven Whitebread, Jacques Hamon, Kamal Azzaoui, Laszlo Urban, Meir Glick, John W. Davies, Jeremy L. Jenkins posted to deconvolution multitargets polypharmacology prediction reuse statistics target_fishing toxicology by jerome on 2009-02-19 13:23:20 as along with 4 people zimbo1 sschurer jbesnard reyez
	A decade of fragment-based drug design: strategic advances and lessons learned [My Copy] Nat Rev Drug Discov, Vol. 6, No. 3. (09 March 2007), pp. 211-219. by Philip J. Hajduk, Jonathan Greer posted to chemical_space fragment hts hts_analysis review by jerome on 2009-02-16 11:38:02 as along with 6 people and 1 group ubcg08l pslee dgruiz bicko massivemayhem jerome_ucsf_slb Fragment Based Drug Discovery
	Target deconvolution strategies in drug discovery [My Copy] Nature Reviews Drug Discovery, Vol. 6, No. 11., pp. 891-903. by Georg C. Terstappen, Christina Schlüpen, Roberto Raggiaschi, Giovanni Gaviraghi posted to deconvolution experimental nrdd review target_fishing by jerome on 2009-02-16 11:35:57 as along with 1 person guhjy
	A Novel Mechanism of G Protein-coupled Receptor Functional Selectivity: MUSCARINIC PARTIAL AGONIST McN-A-343 AS A BITOPIC ORTHOSTERIC/ALLOSTERIC LIGAND [My Copy] J. Biol. Chem., Vol. 283, No. 43. (24 October 2008), pp. 29312-29321. by Celine Valant, Karen J. Gregory, Nathan E. Hall, et al.Peter J. Scammells, Michael J. Lew, Patrick M. Sexton, Arthur Christopoulos posted to gpcr structural_biology by jerome on 2009-02-16 11:33:39 as
	Structural diversity of G protein-coupled receptors and significance for drug discovery [My Copy] Nature Reviews Drug Discovery, Vol. 7, No. 4., pp. 339-357. by Malin C. Lagerström, Helgi B. Schiöth posted to gpcr review structural_biology by jerome on 2009-02-16 11:32:31 as along with 6 people leocmcheung yuslinaz guhjy nprcrzy fernan superpyrin
	Four-Dimensional Docking: A Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 2. (22 January 2009), pp. 397-406. by Giovanni Bottegoni, Irina Kufareva, Maxim Totrov, Ruben Abagyan posted to docking flexibility by jerome on 2009-02-04 18:50:30 as along with 4 people fl sschurer carlosjavierna higueruelo
	Detection and Assignment of Common Scaffolds in Project Databases of Lead Molecules [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 2. (22 January 2009), pp. 469-483. by Alex M. Clark, Paul Labute posted to chemotypes_definition hts_analysis scaffold statistics by jerome on 2009-02-04 18:50:04 as along with 1 person sschurer
	Putting the Predictive Toxicology Challenge into perspective: reflections on the results. [My Copy] Bioinformatics (Oxford, England), Vol. 19, No. 10. (1 July 2003), pp. 1194-1200. by R. Benigni, A. Giuliani posted to no-tag by jerome on 2008-11-13 16:05:43 as
	Knowledge discovery and data mining in toxicology. [My Copy] Statistical methods in medical research, Vol. 9, No. 4. (August 2000), pp. 329-358. by C. Helma, E. Gottmann, S. Kramer posted to no-tag by jerome on 2008-11-13 16:04:52 as
	Use of computer-assisted prediction of toxic effects of chemical substances [My Copy] Toxicology, Vol. 224, No. 1-2. (5 July 2006), pp. 156-162. by Brigitte Simon-Hettich, Andreas Rothfuss, Thomas Steger-Hartmann posted to prediction toxicology by jerome on 2008-11-13 16:04:36 as along with 1 person girschick
	In silico prediction of drug toxicity [My Copy] Journal of Computer-Aided Molecular Design, Vol. 17, No. 2. (1 February 2003), pp. 119-127. by John C. Dearden posted to prediction toxicology by jerome on 2008-11-13 16:03:56 as
	In silico prediction of drug toxicity. [My Copy] Journal of computer-aided molecular design, Vol. 17, No. 2-4. (r 2003), pp. 119-127. by J. C. Dearden posted to prediction toxicology by jerome on 2008-11-13 15:58:48 as
	Computer prediction of possible toxic action from chemical structure: an update on the DEREK system [My Copy] Toxicology, Vol. 106, No. 1-3. (08 January 1996), pp. 267-279. by J. Ridings posted to prediction toxicology by jerome on 2008-11-13 15:54:59 as
	Network pharmacology: the next paradigm in drug discovery [My Copy] Nat Chem Biol, Vol. 4, No. 11. (November 2008), pp. 682-690. by Andrew L. Hopkins posted to bayesian_learning networks ontology polypharmacology statistics by jerome on 2008-10-31 16:42:09 as along with 7 people flbarroso michaelbarton sg45653 richardbickerton Yanno bicko ramensky
	Are the current ontologies in biology good ontologies? [My Copy] Nature Biotechnology, Vol. 23, No. 9. (01 September 2005), pp. 1095-1098. by Larisa N. Soldatova, Ross D. King posted to biology nbt ontology by jerome on 2008-10-31 13:09:29 as along with 17 people and 5 groups operon mikel_egana dagmar vkwn irenas Yanno wcrosbie yas dullhunk onca anon_pl mhucka jmuhlich leechuck pablomendes peterli dansullivanblk Life Sciences Semantic Web (LSSW) dbk-lab Wikipedia CoP_CMS T_lab
	Statistical practice in high-throughput screening data analysis. [My Copy] Nature biotechnology, Vol. 24, No. 2. (07 February 2006), pp. 167-175. by Nathalie Malo, James A. Hanley, Sonia Cerquozzi, Jerry Pelletier, Robert Nadon posted to hts_analysis ligand_based_virtual_screening model statistics by jerome on 2008-10-31 12:58:40 as along with 6 people and 2 groups aviad_work Yanno Ayest lujiec cckan rmk Bioinformatics ThinkBridge
	Overhauling the PDB. [My Copy] Nature biotechnology, Vol. 25, No. 4. (April 2007), pp. 437-442. by Amanda C. Schierz, Larisa N. Soldatova, Ross D. King posted to biology ontology pdb by jerome on 2008-10-31 11:57:10 as along with 4 people daforerog dullhunk viktor21614 bicko
	Bio-ontologies-fast and furious. [My Copy] Nat Biotechnol, Vol. 22, No. 6. (June 2004), pp. 773-774. by J. Blake posted to biology nbt ontology by jerome on 2008-10-31 11:51:35 as along with 1 person and 1 group irenas dbk-lab
	Discovery of Power-Laws in Chemical Space [My Copy] J. Chem. Inf. Model. (4 June 2008) by Ryan W. Benz, Joshua S. Swamidass, Pierre Baldi posted to baldi chemical_space information_retrieval networks by jerome on 2008-06-10 23:34:44 as
	The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification [My Copy] J. Chem. Inf. Model., Vol. 47, No. 1. (22 January 2007), pp. 47-58. by A. Schuffenhauer, P. Ertl, S. Roggo, S. Wetzel, M. A. Koch, H. Waldmann posted to schuffenhauer_ansgar scaffold_hopping mcs by jerome on 2007-01-23 23:58:34 as along with 5 people sschurer mdimmic dgruiz JALumley sithmein

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