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	Efficient Evolution of Accurate Classification Rules Using a Combination of Gene Expression Programming and Clonal Selection [My Copy] IEEE Trans. Evolutionary Computation In Evolutionary Computation, IEEE Transactions on, Vol. 12, No. 6. (2008), pp. 662-678. by Vasileios Karakasis, Andreas Stafylopatis posted to no-tag by ucbcjbm on 2009-12-04 17:03:24 as along with 1 group Classification with Genetic Programming
	From Crystal Structures and Their Analysis to the in silico Prediction of Toxic Phenomena [My Copy] Helvetica Chimica Acta, Vol. 86, No. 5. (2003), pp. 1554-1568. by Max Dobler, Markus A. Lill, Angelo Vedani posted to no-tag by ucbcjbm on 2009-12-02 09:55:37 as
	Progress in QSAR toxicity screening of pharmaceutical impurities and other FDA regulated products☆☆☆ [My Copy] Advanced Drug Delivery Reviews, Vol. 59, No. 1. (10 January 2007), pp. 43-55. by N. Kruhlak, J. Contrera, R. Benz, E. Matthews posted to no-tag by ucbcjbm on 2009-11-25 17:13:21 as
	Ring Systems in Mutagenicity Databases [My Copy] Journal of Medicinal Chemistry, Vol. 48, No. 21. (1 October 2005), pp. 6671-6678. by Richard Kho, Jason A. Hodges, Mark R. Hansen, Hugo O. Villar posted to no-tag by ucbcjbm on 2009-11-25 16:35:26 as
	Toxicity-Indicating Structural Patterns [My Copy] Journal of Chemical Information and Modeling, Vol. 46, No. 2. (1 March 2006), pp. 536-544. by Modest von Korff, Thomas Sander posted to no-tag by ucbcjbm on 2009-11-25 16:28:26 as
	Random Forests [My Copy] Machine Learning, Vol. 45, No. 1. (1 October 2001), pp. 5-32. by Leo Breiman posted to no-tag by ucbcjbm on 2009-11-25 16:10:58 as along with 23 people and 1 group zhengyun sona srp33 felixandrews Borelli ipark-kaist alexeigor dekrays mdifranc wicker alinatunin kliger polykrates abrentnall kaarsinogen sdvillal maheshj lp2 poluxmoon jdu AbnerCYH carlk yaroslavvb Random Subspace Method
	The Rough Guide to In Silico Function Prediction, or How To Use Sequence and Structure Information To Predict Protein Function [My Copy] PLoS Comput Biol, Vol. 4, No. 10. (31 October 2008), e1000160. by Marco Punta, Yanay Ofran posted to no-tag by ucbcjbm on 2009-11-24 11:22:59 as along with 20 people and 1 group pansapiens kiekyon Thaverkamp niallhaslam daforerog Zalanszabo bpcusack Katje joseph_x_zhou taguchi sjcockell markchen ptrobajo chad_davis druvus mdstobbe giovenko nilanjanroy reyez GeeSharpMinor microbiology_nijmegen
	On the origin of life in the Zinc world. 2. Validation of the hypothesis on the photosynthesizing zinc sulfide edifices as cradles of life on Earth [My Copy] Biology Direct, Vol. 4, No. 1. (24 August 2009), 27. by Armen Mulkidjanian, Michael Galperin posted to no-tag by ucbcjbm on 2009-11-23 17:26:46 as
	In Silico Classification of hERG Channel Blockers: a Knowledge-Based Strategy [My Copy] ChemMedChem, Vol. 1, No. 6. (2006), pp. 622-630. by Elodie Dubus, Ismaïl Ijjaali, François Petitet, André Michel posted to no-tag by ucbcjbm on 2009-11-18 15:49:07 as along with 1 person superpyrin
	Assignment of benzodiazepine UV absorption spectra by the use of photoelectron spectroscopy [My Copy] Chemical Physics Letters, Vol. 355, No. 5-6. (8 April 2002), pp. 457-464. by O. Khvostenko posted to no-tag by ucbcjbm on 2009-11-04 14:49:58 as
	Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Moller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors [My Copy] The Journal of Physical Chemistry, Vol. 100, No. 41. (1 January 1996), pp. 16502-16513. by Anthony P. Scott, Leo Radom posted to no-tag by ucbcjbm on 2009-11-04 14:01:02 as along with 2 people tovrstra kimikazu
	Principles of docking: An overview of search algorithms and a guide to scoring functions. [My Copy] Proteins, Vol. 47, No. 4. (1 June 2002), pp. 409-443. by Inbal Halperin, Buyong Ma, Haim Wolfson, Ruth Nussinov posted to no-tag by ucbcjbm on 2009-10-01 13:20:39 as along with 25 people and 4 groups rabio flbarroso csrocha oteri timg dgruiz cantupaz apaydin bicko chad_davis yongzhao ttjoseph nickolay ima sangeetha dgront blackbart gane5h mmuecke kazemi bpagano massivemayhem cjeans Evangelia nigham Structural Biology Group TorVergata Bioinformatics TSRI_MGL insilicodrug
	Ten thousand interactions for the molecular biologist [My Copy] Nature Biotechnology, Vol. 22, No. 10. (06 October 2004), pp. 1317-1321. by Patrick Aloy, Robert B. Russell posted to no-tag by ucbcjbm on 2009-10-01 13:20:30 as along with 14 people and 2 groups krapnik flbarroso mikaellund baaden jwm bicko chad_davis dullhunk dgront drastic ruvido Evangelia higueruelo timg Radiation_Damage Stressosome
	Evolutionary information for specifying a protein fold [My Copy] Nature, Vol. 437, No. 7058., pp. 512-518. by Michael Socolich, Steve W. Lockless, William P. Russ, Heather Lee, Kevin H. Gardner, Rama Ranganathan posted to no-tag by ucbcjbm on 2009-10-01 13:20:18 as along with 18 people and 5 groups edvin krapnik dfdong ana barry lna bpb Einat balajis marcius gbart analogAI nirfriedman caporaso massivemayhem mingzhi bethbromley ca3295 structural_bioinformatics Bioinformatics biomedical-nlp BioinfoCIPF SGU-CIPF
	CATH--a hierarchic classification of protein domain structures. [My Copy] Structure (London, England : 1993), Vol. 5, No. 8. (15 August 1997), pp. 1093-1108. by C. A. Orengo, A. D. Michie, S. Jones, D. T. Jones, M. B. Swindells, J. M. Thornton posted to no-tag by ucbcjbm on 2009-10-01 13:20:07 as along with 15 people and 4 groups krapnik flbarroso kumar_physics semin sebk tjimenez dimka jwm chad_davis Einat caporaso massivemayhem sim82 jteyra gulkur structural_bioinformatics Radiation_Damage Stressosome biomedical-nlp
	A statistical framework to evaluate virtual screening [My Copy] BMC Bioinformatics, Vol. 10, No. 1. (20 July 2009), 225. by Wei Zhao, Kirk Hevener, Stephen White, Richard Lee, James Boyett posted to no-tag by ucbcjbm on 2009-09-29 12:03:06 as along with 1 person olberd
	The Protein Data Bank [My Copy] Nucl. Acids Res., Vol. 28, No. 1. (1 January 2000), pp. 235-242. by Helen M. Berman, John Westbrook, Zukang Feng, et al.Gary Gilliland, T. N. Bhat, Helge Weissig, Ilya N. Shindyalov, Philip E. Bourne posted to no-tag by ucbcjbm on 2009-09-23 12:46:22 as along with 47 people and 5 groups loison ubcg08l trishul krapnik barmak7282 viktor21614 badi TLVincent maria_hauser Martin8223 tomjad Diego_Prada flbarroso Taguan oceanwind dsmueller fisherp semin MarcoAlvarez kumar_physics LamBras RamuAnandakrishnan nlapalu reyez nigham lillekatt thaliana dimka kuhn jwm vavi bicko itmeson dgront caporaso condon aengisch debatebob massivemayhem gisle girschick selrac tji higueruelo boris_aguilar sebk timg References for 3DSim paper Radiation_Damage Stressosome biomedical-nlp beta
	Toward High-Resolution de Novo Structure Prediction for Small Proteins [My Copy] Science, Vol. 309, No. 5742. (16 September 2005), pp. 1868-1871. by Philip Bradley, Kira M. S. Misura, David Baker posted to no-tag by ucbcjbm on 2009-09-23 12:45:50 as along with 11 people and 4 groups paddydu kgutwin BragilMassoud ana barry thaliana jwm vavi marcius gbart thamelry structural_bioinformatics Bioinformatics BioinfoCIPF SGU-CIPF
	Relating Three-Dimensional Structures to Protein Networks Provides Evolutionary Insights [My Copy] Science, Vol. 314, No. 5807. (22 December 2006), pp. 1938-1941. by Philip M. Kim, Long J. Lu, Yu Xia, Mark B. Gerstein posted to no-tag by ucbcjbm on 2009-09-23 12:45:27 as along with 24 people and 2 groups daveGerrard pablocarb mgomes rsaito MatthiasReimann cerca bicko lfriedl chad_davis Einat tny choonpeng timflutre grahamc ramensky massivemayhem efge lpfernandes cdeane Pao-Yang phoenixzxl carlk paolomarcatili saket structural_bioinformatics kdl
	Evolution of function in protein superfamilies, from a structural perspective [My Copy] Journal of Molecular Biology, Vol. 307, No. 4. (6 April 2001), pp. 1113-1143. by Annabel E. Todd, Christine A. Orengo, Janet M. Thornton posted to no-tag by ucbcjbm on 2009-09-23 12:43:58 as along with 10 people and 2 groups flbarroso yuslinaz sgoetz ana kuhn tny sriram_s cdallett uz_labu_laimi sim82 structural_bioinformatics Bioinformatics
	Support Vector Machines and Kernels for Computational Biology [My Copy] PLoS Comput Biol, Vol. 4, No. 10. (31 October 2008), e1000173. by Asa Ben-Hur, Cheng S. Ong, Sören Sonnenburg, Bernhard Schölkopf, Gunnar Rätsch posted to no-tag by ucbcjbm on 2009-09-23 12:42:48 as along with 32 people and 3 groups guhjy VGreiff tomhebbron thegoose Zephyrus phoenixzxl winterschlaefer kshameer svozil mmartin jfr MarcoAlvarez sobolevnrm Yanno Scis0000002 srp33 GustavoLacerda nuin rdiaz dakelley rschulz Borelli taguchi kristina bayesian chad_davis mdstobbe tny giovenko markchen druvus GeeSharpMinor Bioinformatics baker-group VisionLab
	The Catalytic Site Atlas: a resource of catalytic sites and residues identified in enzymes using structural data [My Copy] Nucl. Acids Res., Vol. 32, No. suppl_1. (1 January 2004), pp. D129-133. by Craig T. Porter, Gail J. Bartlett, Janet M. Thornton posted to no-tag by ucbcjbm on 2009-09-23 12:41:56 as along with 12 people and 2 groups barmak7282 pablocarb tjimenez baaden chrn jwm gbart tny sriram_s massivemayhem siebertm grottenolm Radiation_Damage Stressosome
	Protein families and their evolution-a structural perspective. [My Copy] Annu Rev Biochem, Vol. 74 (2005), pp. 867-900. by C. A. Orengo, J. M. Thornton posted to no-tag by ucbcjbm on 2009-09-23 12:41:05 as along with 20 people and 6 groups krapnik dfdong flbarroso kumar_physics yuslinaz ssgong ana barry tjimenez jwm chad_davis Einat Schmidtc marcius sriram_s ezotenko redelings medic0747 nigham sim82 structural_bioinformatics Radiation_Damage Stressosome Bioinformatics BioinfoCIPF SGU-CIPF
	What is principal component analysis? [My Copy] Nature biotechnology, Vol. 26, No. 3. (01 March 2008), pp. 303-304. by Markus Ringnér posted to no-tag by ucbcjbm on 2009-09-23 12:40:17 as along with 72 people and 3 groups edvin frohike krapnik singhsh Jporci tnhh ruvido daforerog Diego_Prada abellogin nguizard thegoose2 arsyed Zephyrus flips svozil VGreiff kaniko ssgong Yanno guhjy operon barry baaic dullhunk Bevan_Weir zeji gareth massivemayhem zwang GustavoLacerda GeeSharpMinor bmaust zambujo mingzhi starz1010101 maralena wchannels sunhwan jennifermbui kdelavega zhouyu rsantana sobolevnrm fryanpan kengg rvosa dekay23 adacier hpaces waghsk rchauhan pavanghatty kristgy jfr bibay2004 xingxu quianominorleo craigwilson06 ashko markusd dayjm dimka i-stevenson chrissp100 tharris ale mjoach HugoMarcelo jdiezperezj rrbarb Nici baker-group FAB-lab Bioinformatics
	Gapped BLAST and PSI-BLAST: a new generation of protein database search programs. [My Copy] Nucleic acids research, Vol. 25, No. 17. (1 September 1997), pp. 3389-3402. by S. F. Altschul, T. L. Madden, A. A. Schäffer, et al.J. Zhang, Z. Zhang, W. Miller, D. J. Lipman posted to no-tag by ucbcjbm on 2009-09-23 12:39:20 as along with 69 people and 5 groups saunders rshe niallhaslam timhubbard parnell tfuji maria_hauser jbhiatt yylin mgomes BioNica idoerg pjcite swp09 kgutwin mcbla cpwardell johanviklund daforerog nlapalu sebk tjimenez shung pwais dakelley knaseanka setar iakes miguel kaarsinogen bjorns bicko jmeppley chad_davis balajis nuke2005 eweaver david_parsons indigoviolet dullhunk robert dgront happy_manatee caporaso treangen kengg manzanita CitoJam jdelcampo aengisch rabio massivemayhem mirzazadeh azazello sujaikumar beatrizfernandez GustavoLacerda siebertm adijr viktor21614 mijam grottenolm bandrewfox edvin newton1234 mariakmejia granujilla marti CharlesM References for 3DSim paper EisenLab biomedical-nlp Microbial-Ecology Plantandetc
	Understanding nature's catalytic toolkit. [My Copy] Trends Biochem Sci (5 October 2005) by Alex Gutteridge, Janet M. Thornton posted to no-tag by ucbcjbm on 2009-09-23 12:38:56 as along with 12 people and 4 groups krapnik ana jwm Einat alexg gbart eweaver tny noby siebertm grottenolm sim82 structural_bioinformatics Radiation_Damage Stressosome Bioinformatics
	Progress in Modeling of Protein Structures and Interactions [My Copy] Science, Vol. 310, No. 5748. (28 October 2005), pp. 638-642. by Ora Schueler-Furman, Chu Wang, Phil Bradley, Kira Misura, David Baker posted to no-tag by ucbcjbm on 2009-09-23 12:37:29 as along with 18 people and 3 groups krapnik rabio paddydu flbarroso thaliana jwm vavi bicko KyuhoLee marcius eweaver tny nickolay dgront rsantana mirzazadeh insectopalo barry BioinfoCIPF SGU-CIPF structural_bioinformatics
	Amodiaquinium dichloride dihydrate from laboratory powder diffraction data [My Copy] Acta Crystallographica Section E, Vol. 62, No. 9. (Sep 2006), pp. o4196-o4199. by Antonio Llinàs, László Fábián, Jonathan C. Burley, Jacco van de Streek, Jonathan M. Goodman posted to no-tag by ucbcjbm on 2009-07-17 11:02:57 as
	Development and Evaluation of an in Silico Model for hERG Binding [My Copy] Journal of Chemical Information and Modeling, Vol. 46, No. 1. (1 January 2006), pp. 392-400. by Minghu Song, Matthew Clark posted to no-tag by ucbcjbm on 2009-07-17 10:15:05 as along with 1 person tomb
	Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases [My Copy] Journal of The Royal Society Interface (8 July 2009) by Pedro J. Ballester, Isaac Westwood, Nicola Laurieri, Edith Sim, W. Graham Richards posted to no-tag by ucbcjbm on 2009-07-17 10:10:37 as
	Comparative Assessment of Scoring Functions on a Diverse Test Set [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 4. (27 April 2009), pp. 1079-1093. by Tiejun Cheng, Xun Li, Yan Li, Zhihai Liu, Renxiao Wang posted to no-tag by ucbcjbm on 2009-07-16 18:05:56 as
	Prediction of SAMPL-1 Hydration Free Energies Using a Continuum Electrostatics-Dispersion Model† [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Traian Sulea, Duangporn Wanapun, Sheldon Dennis, Enrico O. Purisima posted to no-tag by ucbcjbm on 2009-05-08 13:07:24 as along with 1 person and 1 group sobolevnrm baker-group
	Prediction of the Free Energy of Hydration of a Challenging Set of Pesticide-Like Compounds† [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 14. (9 April 2009), pp. 4508-4510. by Andreas Klamt, Frank Eckert, Michael Diedenhofen posted to no-tag by ucbcjbm on 2009-05-08 13:06:25 as
	A Blind Challenge for Computational Solvation Free Energies: Introduction and Overview [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 14. (9 April 2009), pp. 4501-4507. by Peter J. Guthrie posted to no-tag by ucbcjbm on 2009-05-08 13:05:23 as
	Why Enzymes Are Proficient Catalysts: Beyond the Pauling Paradigm [My Copy] Accounts of Chemical Research, Vol. 38, No. 5. (1 May 2005), pp. 379-385. by Xiyun Zhang, K. N. Houk posted to no-tag by ucbcjbm on 2009-04-21 17:36:07 as
	Quantum mechanics: a new tool for engineering thermodynamics [My Copy] Fluid Phase Equilibria, Vol. 210, No. 2. (15 August 2003), pp. 147-160. by S. Sandler posted to no-tag by ucbcjbm on 2009-04-06 12:14:04 as
	Transition-State Docking of Flunitrazepam and Progesterone in Cytochrome P450 [My Copy] Journal of Chemical Theory and Computation, Vol. 4, No. 4. (1 April 2008), pp. 673-681. by Patrik Rydberg, Sine M. Hansen, Jacob Kongsted, Per-Ola Norrby, Lars Olsen, Ulf Ryde posted to no-tag by ucbcjbm on 2009-03-18 11:36:25 as along with 2 people fralium vaibhavdixit4
	Quantum Mechanical Continuum Solvation Models [My Copy] Chemical Reviews, Vol. 105, No. 8. (1 August 2005), pp. 2999-3094. by Jacopo Tomasi, Benedetta Mennucci, Roberto Cammi posted to no-tag by ucbcjbm on 2009-03-18 11:09:22 as along with 2 people and 1 group whitead flbarroso Jiang Research Group
	In silico prediction of aqueous solubility [My Copy] Expert Opinion on Drug Discovery, Vol. 1, No. 1. (2006), pp. 31-52. by John C. Dearden posted to no-tag by ucbcjbm on 2009-02-13 12:59:22 as
	A practical approach to feature selection [My Copy] In ML92: Proceedings of the ninth international workshop on Machine learning (1992), pp. 249-256. by Kenji Kira, Larry A. Rendell posted to no-tag by ucbcjbm on 2009-02-13 11:08:31 as along with 5 people awg2 sona bedo eacosta h-chi
	Estimating Attributes: Analysis and Extensions of RELIEF [My Copy] In European Conference on Machine Learning (1994), pp. 171-182. by Igor Kononenko posted to no-tag by ucbcjbm on 2009-02-13 11:01:20 as along with 1 person h-chi
	Local Kinetics and Dynamics of Xenobiotics [My Copy] Critical Reviews in Toxicology, Vol. 38, No. 8. (2008), pp. 697-720. by Olavi Pelkonen, Jaime Kapitulnik, Ursula Gundert-Remy, Alan R. Boobis, Armel Stockis posted to no-tag by ucbcjbm on 2008-11-07 18:20:38 as
	Feature extraction and classification of Chilean wines [My Copy] Journal of Food Engineering, Vol. 75, No. 1. (July 2006), pp. 1-10. by N. Beltran, M. Duartemermoud, M. Bustos, et al.S. Salah, E. Loyola, A. Penaneira, J. Jalocha posted to no-tag by ucbcjbm on 2008-11-04 16:08:24 as
	Effect of molecular symmetry on melting temperature and solubility [My Copy] Org. Biomol. Chem., Vol. 2, No. 18. (2004), pp. 2692-2699. by Rodolfo Pinal posted to no-tag by ucbcjbm on 2008-11-04 12:17:29 as
	Cohesion [My Copy] Proceedings of the Physical Society, Vol. 43, No. 5. (1931), pp. 461-482. by J. E. Lennard-Jones posted to no-tag by ucbcjbm on 2008-11-04 12:00:52 as along with 4 people stephenbond hearoplane and_ped10 mkurc
	Electronic structures of the boron cage molecules B4H4, B4Cl4 and B4F4 [My Copy] Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 75, No. 3. (1 May 1989), pp. 163-172. by David J. Swanton, Reinhart Ahlrichs posted to no-tag by ucbcjbm on 2008-10-09 17:26:42 as
	Estimation of pKa for Druglike Compounds Using Semiempirical and Information-Based Descriptors [My Copy] J. Chem. Inf. Model., Vol. 47, No. 2. (26 March 2007), pp. 450-459. by S. Jelfs, P. Ertl, P. Selzer posted to no-tag by ucbcjbm on 2008-10-06 13:35:21 as
	Site-specific Conformational Studies of Prion Protein (PrP) Amyloid Fibrils Revealed Two Cooperative Folding Domains within Amyloid Structure [My Copy] J. Biol. Chem., Vol. 282, No. 12. (23 March 2007), pp. 9090-9097. by Ying Sun, Leonid Breydo, Natallia Makarava, Qingyuan Yang, Olga V. Bocharova, Ilia V. Baskakov posted to no-tag by ucbcjbm on 2008-09-19 13:24:42 as
	Purification, crystallization and structure determination of native GroEL from Escherichia coli lacking bound potassium ions [My Copy] Acta Crystallographica Section F: Structural Biology and Crystallization Communications, Vol. 63, No. 6. (June 2007), pp. 0-0. by Kiser, P.D., Lodowski, D.T., Palczewski, K. posted to no-tag by ucbcjbm on 2008-09-16 13:24:58 as
	Potential derived charges using a geodesic point selection scheme [My Copy] Journal of Computational Chemistry, Vol. 17, No. 1. (1996), pp. 1-18. by Mark A. Spackman posted to no-tag by ucbcjbm on 2008-09-16 13:09:08 as along with 1 person and 1 group whitead Jiang Research Group

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