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	Derivation of a scoring function for crystal structure prediction. [My Copy] Acta crystallographica. Section A, Foundations of crystallography, Vol. 57, No. Pt 4. (July 2001), pp. 442-450. by J. Apostolakis, D. W. Hofmann, T. Lengauer posted to classification eigen by apostola on 2008-12-05 09:47:26 as
	Contact potential that recognizes the correct folding of globular proteins. [My Copy] Journal of molecular biology, Vol. 227, No. 3. (5 October 1992), pp. 876-888. by V. N. Maiorov, G. M. Crippen posted to classification by apostola on 2008-12-05 09:45:24 as
	An iterative method for extracting energy-like quantities from protein structures. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 93, No. 21. (15 October 1996), pp. 11628-11633. by P. D. Thomas, K. A. Dill posted to classification by apostola on 2008-12-05 09:43:57 as
	Improved use of continuous attributes in C4.5 [My Copy] JOURNAL OF ARTIFICIAL INTELLIGENCE RESEARCH, Vol. 4 (1996), pp. 77-90. by J. R. Quinlan posted to no-tag by apostola on 2008-11-25 09:30:09 as
	On the Handling of Continuous-Valued Attributes in Decision Tree Generation [My Copy] Mach. Learn., Vol. 8, No. 1. (January 1992), pp. 87-102. by Usama M. Fayyad, Keki B. Irani posted to approximation decision tree by apostola on 2008-11-25 09:11:42 as along with 1 person sdvillal
	Multilayer feedforward networks are universal approximators [My Copy] Neural Networks, Vol. 2, No. 5. (1989), pp. 359-366. by Kurt Hornik, Maxwell Stinchcombe, Halbert White posted to no-tag by apostola on 2008-11-25 09:08:03 as along with 8 people matteodefelice vbaudoui dmajka kira dcastro bbauwens eddymier nkishan
	Support-vector networks [My Copy] Machine Learning, Vol. 20, No. 3. (1 September 1995), pp. 273-297. by Corinna Cortes, Vladimir Vapnik posted to approximation svm by apostola on 2008-11-25 08:58:52 as along with 7 people badi moonykily espriggs thefillm lp2 jhs4jeb carlk
	Multilayer feedforward networks with a nonpolynomial activation function can approximate any function [My Copy] Neural Networks, Vol. 6, No. 6. (1993), pp. 861-867. by M. Leshno, V. Lin, A. Pinkus, S. Schocken posted to approximation by apostola on 2008-11-25 08:55:20 as
	Approximation by superpositions of a sigmoidal function [My Copy] Mathematics of Control, Signals, and Systems (MCSS), Vol. 2, No. 4. (1 December 1989), pp. 303-314. by G. Cybenko posted to approximation by apostola on 2008-11-25 07:48:38 as along with 2 people memming vbaudoui
	White Biotechnology: Ready to partner and invest in [My Copy] Biotechnology Journal, Vol. 1, No. 7-8. (2006), pp. 787-794. by Manfred Kircher posted to biotechnology by apostola on 2008-11-16 23:50:12 as
	Challenges in Engineering Microbes for Biofuels Production [My Copy] Science, Vol. 315, No. 5813. (9 February 2007), pp. 801-804. by Gregory Stephanopoulos posted to metabolomics by apostola on 2008-11-15 00:45:46 as along with 3 people Vincent_Rouilly operon kdang
	Selection and optimization of microbial hosts for biofuels production. [My Copy] Metabolic engineering (3 July 2008) by Curt R R. Fischer, Daniel Klein-Marcuschamer, Gregory Stephanopoulos posted to metabolomics by apostola on 2008-11-15 00:39:59 as
	A linguistic model for the rational design of antimicrobial peptides [My Copy] Nature, Vol. 443, No. 7113., pp. 867-869. by Christopher Loose, Kyle Jensen, Isidore Rigoutsos, Gregory Stephanopoulos posted to antibacterial peptides by apostola on 2008-11-14 23:56:45 as along with 10 people and 1 group marcio niallhaslam Yanno okarsligil dayjm mtagaya madhadron pjkiley shabib loison Bioinformatics
	Data mining and clinical data repositories: Insights from a 667,000 patient data set [My Copy] Computers in Biology and Medicine, Vol. 36, No. 12. (December 2006), pp. 1351-1377. by I. Mullins, M. Siadaty, J. Lyman, et al.K. Scully, C. Garrett, W. Gregmiller, R. Muller, B. Robson, C. Apte, S. Weiss posted to clinical by apostola on 2008-11-14 23:54:38 as along with 5 people axramos JanLesniak lauras guhjy bmaust
	A Pattern-Based Method for the Identification of MicroRNA Binding Sites and Their Corresponding Heteroduplexes [My Copy] Cell, Vol. 126, No. 6. (22 September 2006), pp. 1203-1217. by Kevin C. Miranda, Tien Huynh, Yvonne Tay, et al.Yen-Sin Ang, Wai-Leong Tam, Andrew M. Thomson, Bing Lim, Isidore Rigoutsos posted to microrna by apostola on 2008-11-14 23:52:42 as along with 9 people and 2 groups stharward alessandroparini jfr tuck tardigrade andersbj kengg joshuashen natstreet microRNA Plantandetc
	High-resolution metagenomics targets specific functional types in complex microbial communities [My Copy] Nature Biotechnology, Vol. 26, No. 9. (17 August 2008), pp. 1029-1034. by Marina G. Kalyuzhnaya, Alla Lapidus, Natalia Ivanova, et al.Alex C. Copeland, Alice C. Mchardy, Ernest Szeto, Asaf Salamov, Igor V. Grigoriev, Dominic Suciu, Samuel R. Levine, Victor M. Markowitz, Isidore Rigoutsos, Susannah G. Tringe, David C. Bruce, Paul M. Richardson, Mary E. Lidstrom, Ludmila Chistoserdova posted to metabolomics by apostola on 2008-11-14 23:41:12 as along with 10 people and 2 groups sameersoi Thaverkamp EKotlarska jbhiatt jmeppley sriesenfeld skembel Katje Huub_odc zwang Microbial-Ecology microbiology_nijmegen
	Terpenoids: Opportunities for Biosynthesis of Natural Product Drugs Using Engineered Microorganisms. [My Copy] Mol Pharm (21 March 2008) by Parayil K. Ajikumar, Keith Tyo, Simon Carlsen, Oliver Mucha, Too H. Phon, Gregory Stephanopoulos posted to metabolomics by apostola on 2008-11-14 23:08:30 as along with 1 person dbikard
	Predicting experimental properties of integral membrane proteins by a naive Bayes approach. [My Copy] Proteins, Vol. 70, No. 4. (March 2008), pp. 1243-1256. by A. J. Martin-Galiano, P. Smialowski, D. Frishman posted to bayes crystallography by apostola on 2008-11-08 17:59:04 as
	Prediction of beta-turns and beta-turn types by a novel bidirectional Elman-type recurrent neural network with multiple output layers (MOLEBRNN). [My Copy] Gene, Vol. 422, No. 1-2. (1 October 2008), pp. 22-29. by A. Kirschner, D. Frishman posted to crystallography nn by apostola on 2008-11-08 17:35:00 as
	Fast clustering of equivalent structures in crystal structure prediction [My Copy] Journal of Computational Chemistry, Vol. 18, No. 8. (1997), pp. 1036-1042. by Bouke P. Van Eijck, Jan Kroon posted to clustering crystallography by apostola on 2008-11-08 17:32:16 as
	Functional representation of enzymes by specific peptides. [My Copy] PLoS computational biology, Vol. 3, No. 8. (August 2007) by V. Kunik, Y. Meroz, Z. Solan, et al.B. Sandbank, U. Weingart, E. Ruppin, D. Horn posted to enzyme function its prediction sp by apostola on 2008-09-13 13:58:06 as along with 1 person idoerg
	Antibody catalysis of a reaction otherwise strongly disfavoured in water. [My Copy] Nature, Vol. 374, No. 6518. (9 March 1995), pp. 143-146. by D. Shabat, H. Itzhaky, J. L. Reymond, E. Keinan posted to tsa by apostola on 2008-09-13 13:53:41 as
	Rational design of transition-state analogues as potent enzyme inhibitors with therapeutic applications. [My Copy] ACS chemical biology, Vol. 2, No. 11. (20 November 2007), pp. 711-714. by T. L. Amyes, J. P. Richard posted to inhibitors kie tsa by apostola on 2008-07-20 15:35:25 as along with 1 person gemmalholliday
	Enzymatic Transition State Theory and Transition State Analogue Design [My Copy] J. Biol. Chem., Vol. 282, No. 39. (28 September 2007), pp. 28297-28300. by Vern L. Schramm posted to catalysis kie tsa by apostola on 2008-07-20 15:33:45 as along with 2 people paulschlesinger gemmalholliday
	The nature and character of the transition state for the ADP-ribosyltransferase reaction [My Copy] EMBO Reports, Vol. aop, No. current. (27 June 2008) by Rene Jorgensen, Yolanda Wang, Danielle Visschedyk, Rod A. Merrill posted to catalysis mutants tsa by apostola on 2008-07-20 12:49:01 as
	Structure-based tailoring of compound libraries for high-throughput screening: Discovery of novel EphB4 kinase inhibitors. [My Copy] Proteins (2 April 2008) by Peter Kolb, Catherine Berset B. Kipouros, Danzhi Huang, Amedeo Caflisch posted to screening by apostola on 2008-06-11 13:20:39 as
	Automatic Determination of Reaction Mappings and Reaction Center Information. 1. The Imaginary Transition State Energy Approach. [My Copy] Journal of chemical information and modeling (6 June 2008) by Robert Körner, Joannis Apostolakis posted to eigen reaction by apostola on 2008-06-11 13:11:06 as along with 1 person sim82
	Automatic Determination of Reaction Mappings and Reaction Center Information. 2. Validation on a Biochemical Reaction Database. [My Copy] Journal of chemical information and modeling (6 June 2008) by Joannis Apostolakis, Oliver Sacher, Robert Körner, Johann Gasteiger posted to eigen reaction by apostola on 2008-06-11 13:09:57 as along with 1 person ucbcjbm
	DrugScore(CSD)-Knowledge-Based Scoring Function Derived from Small Molecule Crystal Data with Superior Recognition Rate of Near-Native Ligand Poses and Better Affinity Prediction. [My Copy] J Med Chem, Vol. 48, No. 20. (6 October 2005), pp. 6296-6303. by Hans F. Velec, Holger Gohlke, Gerhard Klebe posted to scoring by apostola on 2008-04-15 13:26:27 as along with 4 people and 1 group BragilMassoud yongzhao insilico ucbcjbm TSRI_MGL
	Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches [My Copy] J. Chem. Inf. Model. (11 October 2007) by J. Kirchmair, S. Ristic, K. Eder, et al.P. Markt, G. Wolber, C. Laggner, T. Langer posted to homdock pharmacophore by apostola on 2008-03-17 00:06:08 as along with 1 person daevans
	Parallel screening and activity profiling with HIV protease inhibitor pharmacophore models. [My Copy] J Chem Inf Model, Vol. 47, No. 2. (r 2007), pp. 563-571. by T. M. Steindl, D. Schuster, C. Laggner, K. Chuang, R. D. Hoffmann, T. Langer posted to inverse pharmacophore by apostola on 2008-03-17 00:02:22 as
	Parallel screening: a novel concept in pharmacophore modeling and virtual screening. [My Copy] J Chem Inf Model, Vol. 46, No. 5. (t 2006), pp. 2146-2157. by T. M. Steindl, D. Schuster, C. Laggner, T. Langer posted to inverse pharmacophore by apostola on 2008-03-17 00:00:18 as along with 2 people jbhonsle tjimenez
	LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters [My Copy] J. Chem. Inf. Model., Vol. 45, No. 1. (24 January 2005), pp. 160-169. by G. Wolber, T. Langer posted to pharmacophore by apostola on 2008-03-16 23:57:55 as along with 4 people tbinbal superpyrin GermanErlenkamp massivemayhem
	Similarity-driven flexible ligand docking. [My Copy] Proteins, Vol. 40, No. 4. (1 September 2000), pp. 623-636. by X. Fradera, R. M. Knegtel, J. Mestres posted to docking guided homdock by apostola on 2008-03-16 23:47:44 as
	Guided docking approaches to structure-based design and screening. [My Copy] Curr Top Med Chem, Vol. 4, No. 7. (2004), pp. 687-700. by X. Fradera, J. Mestres posted to docking guided homdock by apostola on 2008-03-16 23:37:30 as along with 1 person oteri
	The Principle of Minimum Chemical Distance (PMCD) [My Copy] Angewandte Chemie International Edition in English, Vol. 19, No. 7. (1980), pp. 495-505. by Clemens Jochum, Johann Gasteiger, Ivar Ugi posted to mapping pmcd reaction by apostola on 2008-01-27 16:34:29 as along with 3 people q_w_e_r_t_y BragilMassoud jcrab
	Modeling Robust QSAR [My Copy] J. Chem. Inf. Model., Vol. 46, No. 6. (27 November 2006), pp. 2310-2318. by J. Polanski, A. Bak, R. Gieleciak, T. Magdziarz posted to kohonen nn by apostola on 2008-01-23 09:20:38 as along with 1 person elvinado
	Sesquiterpene lactones-based classification of the family asteraceae using neural networks and k-nearest neighbors. [My Copy] J Chem Inf Model, Vol. 47, No. 1. (b 2007), pp. 9-19. by D. Hristozov, F. B. Da Costa, J. Gasteiger posted to nn by apostola on 2008-01-23 09:15:33 as
	The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNA. [My Copy] J Comput Aided Mol Des (7 December 2007) by Andreas Schüller, Marcel Suhartono, Uli Fechner, et al.Yusuf Tanrikulu, Sven Breitung, Ute Scheffer, Michael W. Göbel, Gisbert Schneider posted to pharmacophore scaffold by apostola on 2008-01-23 09:13:40 as
	Scaffold hopping by "fuzzy" pharmacophores and its application to RNA targets. [My Copy] Chembiochem, Vol. 8, No. 16. (5 November 2007), pp. 1932-1936. by Y. Tanrikulu, M. Nietert, U. Scheffer, et al.E. Proschak, K. Grabowski, P. Schneider, M. Weidlich, M. Karas, M. Göbel, G. Schneider posted to pharmacophore scaffold by apostola on 2008-01-23 09:10:36 as along with 1 person superpyrin
	Virtual screening for PPAR modulators using a probabilistic neural network. [My Copy] ChemMedChem, Vol. 1, No. 12. (December 2006), pp. 1346-1350. by S. Derksen, O. Rau, P. Schneider, M. Schubert-Zsilavecz, G. Schneider posted to nn by apostola on 2008-01-23 08:56:42 as
	Recent advances in comparative molecular field analysis (CoMFA). [My Copy] Prog Clin Biol Res, Vol. 291 (1989), pp. 161-165. by R. D. Cramer, D. E. Patterson, J. D. Bunce posted to comfa by apostola on 2008-01-22 16:26:21 as
	Three-dimensional structure-activity relationships. [My Copy] Trends Pharmacol Sci, Vol. 9, No. 8. (August 1988), pp. 285-289. by G. R. Marshall, R. D. Cramer posted to comfa by apostola on 2008-01-22 16:25:54 as
	Drugs for bad bugs: confronting the challenges of antibacterial discovery [My Copy] Nature Reviews Drug Discovery, Vol. 6, No. 1. (08 December 2006), pp. 29-40. by David J. Payne, Michael N. Gwynn, David J. Holmes, David L. Pompliano posted to gsk hts by apostola on 2008-01-22 16:23:54 as along with 1 person markchen
	ProPose: steered virtual screening by simultaneous protein-ligand docking and ligand-ligand alignment. [My Copy] J Chem Inf Model, Vol. 45, No. 2. (r 2005), pp. 449-460. by M. H. Seifert posted to homdock by apostola on 2008-01-22 09:44:45 as
	Virtual Computational Chemistry Laboratory - Design and Description [My Copy] Journal of Computer-Aided Molecular Design, Vol. 19, No. 6. (June 2005), pp. 453-463. by Igor Tetko, Johann Gasteiger, Roberto Todeschini, et al.Andrea Mauri, David Livingstone, Peter Ertl, Vladimir Palyulin, Eugene Radchenko, Nikolay Zefirov, Alexander Makarenko, Vsevolod Tanchuk, Volodymyr Prokopenko posted to e-dragon by apostola on 2008-01-21 23:22:58 as along with 1 person nicklynch
	In Silico Elucidation of the Molecular Mechanism Defining the Adverse Effect of Selective Estrogen Receptor Modulators [My Copy] PLoS Comput Biol, Vol. 3, No. 11. (30 November 2007), e217. by L. Xie, J. Wang, P. E. Bourne posted to effects inverse screening side by apostola on 2008-01-21 21:43:22 as along with 1 person aheilbut
	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 inverse screening similarity by apostola on 2008-01-21 21:18:43 as along with 1 person kuhn
	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 chemical proteomics by apostola on 2008-01-21 21:16:55 as along with 2 people guhjy kuhn
	Finding new components of the target of rapamycin (TOR) signaling network through chemical genetics and proteome chips. [My Copy] Proc Natl Acad Sci U S A, Vol. 101, No. 47. (23 November 2004), pp. 16594-16599. by J. Huang, H. Zhu, S. J. Haggarty, et al.D. R. Spring, H. Hwang, F. Jin, M. Snyder, S. L. Schreiber posted to chips proteome by apostola on 2008-01-21 21:14:44 as along with 1 person adiel

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docking	13
eigen	12
inverse	9
screening	9
similarity	9
pharmacophore	8
homdock	5
solvation	5
approximation	4
basics	4
energy	4
free	4
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metabolomics	4
nn	4
poisson	4
tsa	4
classification	3
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crystallography	3
cyclodextrin	3
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pmf	3
potentials	3
reaction	3
reduced	3
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catalysis	2
chemical	2
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mc	2
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qsar	2
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ar	1
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carlo	1
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screen	1
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state	1
statistical	1
svm	1
textmining	1
thermodynamic	1
threading	1
topological	1
transition	1
tree	1

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