jerome's library [90 articles]

Recent papers added to jerome's library.

	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 3 people and 1 group 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 statistics quantitative protein_ligand_interaction prediction modeling docking 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 structural_biology experimental 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. 0, No. 0. (0000) by Yunxiang Lu, Ting Shi, Yong Wang, et al.Huaiyu Yang, Xiuhua Yan, Xiaoming Luo, Hualiang Jiang, Weiliang Zhu posted to protein_ligand_interaction prediction geometry flurorine by jerome on 2009-04-14 08:03:51 as along with 1 person higueruelo
	Heteroaromatic Rings of the Future [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by William R. Pitt, David M. Parry, Benjamin G. Perry, Colin R. Groom posted to substructural_analysis scaffold_hopping scaffold raymond_john chemotypes_definition chemical_space by jerome on 2009-04-14 08:02:24 as along with 4 people goncalojustino alfons ubcg08l higueruelo
	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
	Ligand efficiency and fragment-based drug discovery [My Copy] Drug Discovery Today (30 December 2008) by S. Bembenek, B. Tounge, C. Reynolds posted to scaffold raymond_john modeling fragment docking chemical_space by jerome on 2009-03-23 07:58:41 as along with 2 people sschurer pslee
	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 roche protein_ligand_interaction modeling flurorine 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 roche protein_ligand_interaction modeling geometry flurorine by jerome on 2009-03-13 12:48:42 as along with 3 people and 1 group allmensch sobolevnrm ivke baker-group
	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
	Binding Site Similarity Analysis for the Functional Classification of the Protein Kinase Family [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Sarah L. Kinnings, Richard M. Jackson posted to binding_site by jerome on 2009-02-19 13:27:50 as along with 3 people 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 toxicology target_fishing statistics reuse prediction polypharmacology multitargets deconvolution 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] Nature Reviews Drug Discovery, Vol. 6, No. 3. (09 February 2007), pp. 211-219. by Philip J. Hajduk, Jonathan Greer posted to review hts_analysis hts fragment chemical_space by jerome on 2009-02-16 11:38:02 as along with 5 people and 1 group 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 target_fishing review nrdd experimental deconvolution 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 structural_biology gpcr 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 structural_biology review gpcr 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. 0, No. 0. (0000) by Giovanni Bottegoni, Irina Kufareva, Maxim Totrov, Ruben Abagyan posted to flexibility docking by jerome on 2009-02-04 18:50:30 as along with 3 people 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 statistics scaffold hts_analysis chemotypes_definition 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 toxicology prediction 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 toxicology prediction 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 toxicology prediction 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 toxicology prediction 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 statistics polypharmacology ontology networks bayesian_learning 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., pp. 1095-1098. by Larisa N. Soldatova, Ross D. King posted to ontology nbt biology by jerome on 2008-10-31 13:09:29 as along with 16 people and 5 groups 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 statistics model ligand_based_virtual_screening hts_analysis by jerome on 2008-10-31 12:58:40 as along with 6 people and 1 group aviad_work Yanno Ayest lujiec cckan rmk ThinkBridge
	Overhauling the PDB [My Copy] Nature Biotechnology, Vol. 25, No. 4., pp. 437-442. by Amanda C. Schierz, Larisa N. Soldatova, Ross D. King posted to pdb ontology biology by jerome on 2008-10-31 11:57:10 as along with 3 people 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 ontology nbt biology by jerome on 2008-10-31 11:51:35 as along with 1 person and 1 group irenas dbk-lab
	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 compound_selection chemical_space by jerome on 2008-09-24 13:58:19 as
	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
	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] J. Chem. Inf. Model. (28 December 2007) by S. R. Johnson posted to no-tag by jerome on 2008-01-04 18:26:48 as along with 3 people and 1 group daevans skydream elvinado Cheminformatics
	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
	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
	Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces [My Copy] J. Chem. Inf. Model., Vol. 47, No. 1. (22 January 2007), pp. 39-46. by M. Vogt, J. W. Godden, J. Bajorath posted to bayesian_learning bayesian_alternates by jerome on 2007-01-23 23:56:26 as along with 2 people daevans sithmein
	Structure-based maximal affinity model predicts small-molecule druggability [My Copy] Nature Biotechnology, Vol. 25, No. 1. (08 January 2007), pp. 71-75. by Alan C. Cheng, Ryan G. Coleman, Kathleen T. Smyth, et al.Qing Cao, Patricia Soulard, Daniel R. Caffrey, Anna C. Salzberg, Enoch S. Huang posted to quantitative model affinity by jerome on 2007-01-23 23:51:58 as along with 7 people phoenixzxl ubcg08l sschurer ucbcjbm yeastyboy willpitt higueruelo
	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 Grant R. Zimmermann, Joseph Lehar, Curtis T. Keith posted to review polypharmacology multitargets by jerome on 2007-01-23 23:46:49 as along with 3 people 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
	Chemogenomics [My Copy] (2006) by J. Hert, P. Willett, D. J. Wilton edited by E. Jacoby posted to personal by jerome on 2006-01-03 22:59:50 as
	Virtual Screening using Binary Kernal Discrimination [My Copy] In Proceedings of the International Beilstein Workshop ``The Chemical Theatre of Biological Systems'' (2005), pp. 119-131. by J. Hert, P. Willett, D. J. Wilton edited by M. G. Hicks, C. Kettner posted to personal by jerome on 2006-01-03 22:59:50 as
	New Methods for Ligand-Based Virtual Screening: Use of Data-Fusion and Machine-Learning Techniques to Enhance the Effectiveness of Similarity Searching [My Copy] Journal of Chemical Information and Modeling (2005) by J. Hert, P. Willett, D. J. Wilton, et al.P. Acklin, K. Azzaoui, E. Jacoby, A. Schuffenhauer posted to personal by jerome on 2006-01-03 22:59:50 as along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
	Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information [My Copy] Journal of Medicinal Chemistry, Vol. 48, No. 22. (2005), pp. 7049-7054. by J. Hert, P. Willett, D. J. Wilton, et al.P. Acklin, K. Azzaoui, E. Jacoby, A. Schuffenhauer posted to personal by jerome on 2006-01-03 22:59:50 as along with 1 person JALumley
	Ligand-based virtual screening using binary kernel discrimination [My Copy] Molecular Simulation, Vol. 31, No. 8. (2005), pp. 597-604. by C. Beining, R. F. Harrison, J. Hert, C. Mpanhanga, P. Willett, D. J. Wilton posted to personal by jerome on 2006-01-03 22:59:50 as along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug

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