jerome's Top Recommendations

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	Ligand efficiency: a useful metric for lead selection [My Copy] Drug Discovery Today, Vol. 9, No. 10. (15 May 2004), pp. 430-431. by A. Hopkins posted by 7 people mijogiffin ubcg08l bicko Yanno daevans higueruelo JALumley
	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 by 30 people rabio ucbcjbm flbarroso csrocha Structural Biology Group TorVergata oteri timg dgruiz cantupaz apaydin bicko chad_davis yongzhao ttjoseph nickolay ima sangeetha dgront blackbart gane5h mmuecke kazemi bpagano massivemayhem cjeans Bioinformatics TSRI_MGL insilicodrug Evangelia nigham
	Chemical Substructure Search in SQL [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 1. (26 January 2009), pp. 22-27. by Adel Golovin, Kim Henrick posted by 6 people richardbickerton pauldobson higueruelo dullhunk zimbo1 sschurer
	A network view of disease and compound screening. [My Copy] Nature reviews. Drug discovery, Vol. 8, No. 4. (April 2009), pp. 286-295. by Eric E. Schadt, Stephen H. Friend, David A. Shaywitz posted by 12 people jbesnard abhishek_tiwari pablocarb richardbickerton sameersoi mingzhi oelemento ptrobajo phoenixzxl reyez guhjy sschurer
	Global mapping of pharmacological space [My Copy] Nature Biotechnology, Vol. 24, No. 7. (13 July 2006), pp. 805-815. by Gaia V. Paolini, Richard H. B. Shapland, Willem P. van Hoorn, Jonathan S. Mason, Andrew L. Hopkins posted by 14 people bertelsen sameersoi superpyrin richardbickerton ramensky Yanno BragilMassoud guhjy kuhn bicko caporaso allmensch biomedical-nlp jerome_ucsf_slb
	Genomic-scale prioritization of drug targets: the TDR Targets database [My Copy] Nature Reviews Drug Discovery, Vol. 7, No. 11. (17 October 2008), pp. 900-907. by Fernán Agüero, Bissan Al-Lazikani, Martin Aslett, et al.Matthew Berriman, Frederick S. Buckner, Robert K. Campbell, Santiago Carmona, Ian M. Carruthers, Edith A. W. Chan, Feng Chen, Gregory J. Crowther, Maria A. Doyle, Christiane Hertz-Fowler, Andrew L. Hopkins, Gregg Mcallister, Solomon Nwaka, John P. Overington, Arnab Pain, Gaia V. Paolini, Ursula Pieper, Stuart A. Ralph, Aaron Riechers, David S. Roos, Andrej Sali, Dhanasekaran Shanmugam, Takashi Suzuki, Wesley C. Van Voorhis, Christophe L. M. J. Verlinde posted by 6 people bicko ubcg08l sschurer richardbickerton guhjy tmmurali
	CREDO: A Protein–Ligand Interaction Database for Drug Discovery [My Copy] Chemical Biology & Drug Design, Vol. 73, No. 2. (February 2009), pp. 157-167. by Adrian Schreyer, Tom Blundell posted by 7 people mijam richardbickerton pansapiens bicko nanonan massivemayhem higueruelo
	‘Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries [My Copy] Drug Discovery Today, Vol. 14, No. 1-2. (28 January 2009), pp. 31-40. by P. Dobson, Y. Patel, D. Kell posted by 10 people mingzhi richardbickerton massivemayhem vpenelle jmuhlich lptolik pauldobson sschurer egonw dullhunk
	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 by 50 people krapnik barmak7282 viktor21614 badi ucbcjbm TLVincent maria_hauser Martin8223 tomjad Diego_Prada flbarroso Taguan oceanwind dsmueller fisherp semin MarcoAlvarez kumar_physics References for 3DSim paper LamBras RamuAnandakrishnan nlapalu reyez nigham lillekatt thaliana dimka kuhn jwm vavi bicko itmeson dgront caporaso condon aengisch debatebob massivemayhem gisle girschick selrac Radiation_Damage Stressosome biomedical-nlp beta tji higueruelo boris_aguilar sebk timg
	Small molecule antagonists of proteins. [My Copy] Biochem Pharmacol, Vol. 65, No. 1. (1 January 2003), pp. 1-8. by T. R. Gadek, J. B. Nicholas posted by 5 people dgruiz sangeetha Bioinformatics insilicodrug higueruelo
	Binding site detection and druggability index from first principles. [My Copy] Journal of medicinal chemistry, Vol. 52, No. 8. (23 April 2009), pp. 2363-2371. by Jesus Seco, F. Javier Luque, Xavier Barril posted by 4 people ubcg08l sschurer higueruelo Klapampfer
	Binding MOAD (Mother Of All Databases). [My Copy] Proteins (21 June 2005) by Liegi Hu, Mark L L. Benson, Richard D D. Smith, Michael G G. Lerner, Heather A A. Carlson posted by 16 people BragilMassoud sangeetha shantanu caporaso papatonyhill structural_bioinformatics MathBio Biostatistics Bioinformatics microRNA Computational_Systems_Biology EvolutionaryComputation Computational-Neurobiology biomedical-nlp insilicodrug higueruelo
	Flexible protein-protein docking [My Copy] Current Opinion in Structural Biology In Theory and simulation/Macromolecular assemblages - Joel Janin and Michael Levitt/Edward H Egelman and Andrew GW Leslie, Vol. 16, No. 2. (April 2006), pp. 194-200. by Alexandre M. J. J. Bonvin posted by 15 people timg flbarroso oteri laurabailey dgruiz aqeel bicko yongzhao ima sangeetha gloria Bioinformatics TSRI_MGL insilicodrug higueruelo
	Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions. [My Copy] J Med Chem, Vol. 47, No. 2. (15 January 2004), pp. 337-344. by Z. Deng, C. Chuaqui, J. Singh posted by 7 people bio_dataminer ubcg08l apostola sangeetha Bioinformatics insilicodrug massivemayhem
	How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 1. (26 January 2009), pp. 108-119. by Andreas Bender, Jeremy L. Jenkins, Josef Scheiber, Sai C. Sukuru, Meir Glick, John W. Davies posted by 8 people ucbcjbm JALumley carlosjavierna zimbo1 jbesnard sschurer sameguy jxl
	Drug discovery: a historical perspective. [My Copy] Science, Vol. 287, No. 5460. (17 March 2000), pp. 1960-1964. by J. Drews posted by 18 people jbesnard Yanno BragilMassoud nachtalp kuhn Borelli sangeetha joergkurtwegner jdiggans ramensky Bioinformatics Molecular-Modelling Drug-Design Cheminformatics insilicodrug LamBras srp33 yaredo
	DrugBank: a comprehensive resource for in silico drug discovery and exploration [My Copy] Nucl. Acids Res., Vol. 34, No. suppl_1. (1 January 2006), pp. D668-672. by David S. Wishart, Craig Knox, An C. Guo, et al.Savita Shrivastava, Murtaza Hassanali, Paul Stothard, Zhan Chang, Jennifer Woolsey posted by 14 people sm-rush bertelsen wenhui yaredo dansullivanblk kuhn maryee sangeetha madhadron jdiggans massivemayhem Bioinformatics insilicodrug elvinado
	The maximal affinity of ligands. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 96, No. 18. (31 August 1999), pp. 9997-10002. by I. D. Kuntz, K. Chen, K. A. Sharp, P. A. Kollman posted by 7 people higueruelo ubcg08l bicko pslee BragilMassoud alexg superpyrin
	The druggable genome. [My Copy] Nat Rev Drug Discov, Vol. 1, No. 9. (September 2002), pp. 727-730. by A. L. Hopkins, C. R. Groom posted by 10 people bicko semin richardbickerton kuhn apostola dullhunk caporaso biomedical-nlp higueruelo thanatos
	Structure-based discovery of an organic compound that binds Bcl-2 protein and induces apoptosis of tumor cells [My Copy] PNAS, Vol. 97, No. 13. (20 June 2000), pp. 7124-7129. by Jia-Lun Wang, Dongxiang Liu, Zhi-Jia Zhang, et al.Simei Shan, Xiaobing Han, Srinivasa M. Srinivasula, Carlo M. Croce, Emad S. Alnemri, Ziwei Huang posted by 5 people emiko sangeetha Bioinformatics insilicodrug higueruelo
	Predicting druggable binding sites at the protein-protein interface. [My Copy] Drug discovery today (25 November 2008) by Jonathan C C. Fuller, Nicholas J J. Burgoyne, Richard M M. Jackson posted by 5 people flbarroso tbinbal sschurer pslee higueruelo
	Protein flexibility in ligand docking and virtual screening to protein kinases. [My Copy] J Mol Biol, Vol. 337, No. 1. (12 March 2004), pp. 209-225. by C. N. Cavasotto, R. A. Abagyan posted by 13 people flbarroso oteri BragilMassoud dgruiz yongzhao sangeetha anwazo daevans kazemi Bioinformatics TSRI_MGL insilicodrug LamBras
	Predicting protein druggability [My Copy] Drug Discovery Today, Vol. 10, No. 23-24. (December 2005), pp. 1675-1682. by P. Hajduk, J. Huth, C. Tse posted by 7 people ubcg08l tjimenez bicko caporaso massivemayhem biomedical-nlp higueruelo
	Novel Chemical Space Exploration via Natural Products [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Josefin Rosén, Johan Gottfries, Sorel Muresan, Anders Backlund, Tudor I. Oprea posted by 6 people sorelmuresan zimbo1 sschurer reyez higueruelo Klapampfer
	Computational Alanine Scanning of Protein-Protein Interfaces [My Copy] Sci. STKE, Vol. 2004, No. 219. (10 February 2004), pl2. by Tanja Kortemme, David E. Kim, David Baker posted by 15 people chemrahul82 onufriev pablocarb bicko barry sangeetha blackbart joergkurtwegner structural_bioinformatics Bioinformatics Molecular-Modelling Drug-Design Cheminformatics insilicodrug skoddet
	Data clustering: a review [My Copy] ACM Comput. Surv., Vol. 31, No. 3. (September 1999), pp. 264-323. by A. K. Jain, M. N. Murty, P. J. Flynn posted by 78 people emailhy erikv thegoose elan urvoy stharward thefillm operon avoregnitiv fer votis pick600 pbk nhoussos qwermish svozil takeha-e eabait mthomure mercutio egh ericyu karbak dgruiz pdlug thsant mapio mhay davidbrooks imouthesmp dfrankow rahul marcius stagediver sterovetta sangeetha chadhogg sdvillal dgront styliani alexhofmann gane5h ianturton bigbossman perceptron allmensch aviad_work julianpan atbrew sugarexpletive KillianKay mkolar sajan dvisoin theodora jcsilva furykerry koles video_retrieval kdl GroupLens Bioinformatics SRL insilicodrug BioinfoCIPF SGU-CIPF MScResearchRessources NDSiTransitRessources NDS106ProjectRessources NDSIntraVehicularResearch ahat Community_SSTZ paulovn AbnerCYH tnhh flaviovdf dragonrez iraklis
	Do structurally similar molecules have similar biological activity? [My Copy] J Med Chem, Vol. 45, No. 19. (12 September 2002), pp. 4350-4358. by Y. C. Martin, J. L. Kofron, L. M. Traphagen posted by 5 people reyez kuhn sangeetha Bioinformatics insilicodrug
	Scalable molecular dynamics with NAMD [My Copy] Journal of Computational Chemistry, Vol. 26, No. 16. (December 2005), pp. 1781-1802. by James C. Phillips, Rosemary Braun, Wei Wang, et al.James Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant Kalé, Klaus Schulten posted by 26 people krapnik pjkiley flbarroso yxue r2s2 grondina rpetrenko oteri oceanwind dfgreen vahmurk gisle dimka jwm ttjoseph sangeetha yoel_rf bilab wilsoros sobolevnrm Radiation_Damage Stressosome Bioinformatics insilicodrug baker-group ibuch
	Structural systems biology: modelling protein interactions. [My Copy] Nature reviews. Molecular cell biology, Vol. 7, No. 3. (March 2006), pp. 188-197. by Patrick Aloy, Robert B. Russell posted by 28 people flbarroso timg chica Scis0000002 ubcg08l ana aalibes bicko xico dgront drastic choonpeng henschel ruvido massivemayhem cat_worth fishtank iris_2001 gvuister lpfernandes structural_bioinformatics Bioinformatics WetBiology Evangelia andreas_foersch higueruelo chad_davis jteyra
	Molecular recognition and docking algorithms. [My Copy] Annu Rev Biophys Biomol Struct, Vol. 32 (2003), pp. 335-373. by N. Brooijmans, I. D. Kuntz posted by 11 people flbarroso BragilMassoud yongzhao ttjoseph sangeetha blackbart kazemi massivemayhem Bioinformatics TSRI_MGL insilicodrug
	Inference in Bayesian networks [My Copy] Nat Biotech, Vol. 24, No. 1. (01 January 2006), pp. 51-53. by Chris J. Needham, James R. Bradford, Andrew J. Bulpitt, David R. Westhead posted by 17 people jxl abhishek_tiwari richardbickerton Yanno jrw garyfeng okarsligil Borelli ddahlem lujiec kozlak jo_davies ReadingLab Bioinformatics ThinkBridge quianominorleo Pragmatist
	The use of protein-ligand interaction fingerprints in docking. [My Copy] Current opinion in drug discovery & development, Vol. 11, No. 3. (May 2008), pp. 356-364. by S. C. Brewerton posted by 4 people flbarroso richardbickerton higueruelo massivemayhem
	Fragment-based drug discovery. [My Copy] J Med Chem, Vol. 47, No. 14. (1 July 2004), pp. 3463-3482. by D. A. Erlanson, R. S. McDowell, T. O'Brien posted by 6 people Fragment Based Drug Discovery pslee nachtalp sangeetha Bioinformatics insilicodrug
	A review of protein-small molecule docking methods. [My Copy] J Comput Aided Mol Des, Vol. 16, No. 3. (March 2002), pp. 151-166. by R. D. Taylor, P. J. Jewsbury, J. W. Essex posted by 12 people klexa csrocha Structural Biology Group TorVergata oteri marcius sangeetha schlauchi massivemayhem Bioinformatics insilicodrug BioinfoCIPF SGU-CIPF
	Comparative evaluation of eight docking tools for docking and virtual screening accuracy. [My Copy] Proteins, Vol. 57, No. 2. (1 November 2004), pp. 225-242. by E. Kellenberger, J. Rodrigo, P. Muller, D. Rognan posted by 8 people klexa oteri BragilMassoud dgruiz sangeetha schlauchi Bioinformatics insilicodrug
	Comparing protein-ligand docking programs is difficult. [My Copy] Proteins (3 June 2005) by Jason C C. Cole, Christopher W W. Murray, J Willem M W. Nissink, Richard D D. Taylor, Robin Taylor posted by 12 people flbarroso BragilMassoud dgruiz thaliana yongzhao sangeetha kzfm peprovy carlescorbi Bioinformatics TSRI_MGL insilicodrug
	Distinguishing between Bioactive and Modeled Compound Conformations through Mining of Emerging Chemical Patterns [My Copy] J. Chem. Inf. Model. (13 August 2008) by Jens Auer, Jürgen Bajorath posted by 4 people JALumley massivemayhem sschurer zimbo1
	Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints [My Copy] Journal of Chemical Information and Modeling, Vol. 47, No. 1. (1 January 2007), pp. 195-207. by Gilles Marcou, Didier Rognan posted by 9 people RebeccaHamer klexa richardbickerton nanonan BragilMassoud peprovy schlauchi massivemayhem sithmein
	Drug-target network. [My Copy] Nature biotechnology, Vol. 25, No. 10. (October 2007), pp. 1119-1126. by Muhammed A. Yildirim, Kwang-Il I. Goh, Michael E. Cusick, Albert-László L. Barabási, Marc Vidal posted by 16 people daforerog richardbickerton ramensky ptrobajo Yanno guhjy cannin jfr julius grahamc cjeans zwang dejori mingzhi libr jerome_ucsf_slb
	Novel technologies for virtual screening. [My Copy] Drug Discov Today, Vol. 9, No. 1. (1 January 2004), pp. 27-34. by T. Lengauer, C. Lemmen, M. Rarey, M. Zimmermann posted by 6 people zimbo1 tjimenez sangeetha ramensky Bioinformatics insilicodrug
	In Silico Functional Profiling of Small Molecules and Its Applications [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Tomohiro Sato, Yo Matsuo, Teruki Honma, Shigeyuki Yokoyama posted by 3 people reyez sschurer jbesnard
	MULTIPROSPECTOR: an algorithm for the prediction of protein-protein interactions by multimeric threading. [My Copy] Proteins, Vol. 49, No. 3. (15 November 2002), pp. 350-364. by L. Lu, H. Lu, J. Skolnick posted by 12 people ana bicko chad_davis marcius sangeetha ruvido structural_bioinformatics Bioinformatics insilicodrug BioinfoCIPF SGU-CIPF kgutwin
	SCOPPI: a structural classification of protein-protein interfaces. [My Copy] Nucleic acids research, Vol. 34, No. Database issue. (1 January 2006) by Christof Winter, Andreas Henschel, Wan Kyu K. Kim, Michael Schroeder posted by 15 people winterschlaefer higueruelo sjcockell ana kuhn bicko chad_davis marcius choonpeng structural_bioinformatics Bioinformatics BioinfoCIPF SGU-CIPF Evangelia kintoki
	VASCo: computation and visualization of annotated protein surface contacts [My Copy] BMC Bioinformatics, Vol. 10, No. 1. (2009), 32. by Georg Steinkellner, Robert Rader, Gerhard Thallinger, Christoph Kratky, Karl Gruber posted by 6 people richardbickerton superpyrin higueruelo kshameer neils svozil
	The pKBHX Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 14. (23 July 2009), pp. 4073-4086. by Christian Laurence, Ken A. Brameld, Jérôme Graton, Jean-Yves Le Questel, Eric Renault posted by 3 people carlosjavierna sschurer higueruelo
	Integrating molecular design resources within modern drug discovery research: the Roche experience. [My Copy] Drug Discov Today, Vol. 11, No. 7-8. (April 2006), pp. 326-333. by M. Stahl, W. Guba, M. Kansy posted by 5 people klexa JALumley sschurer BragilMassoud daevans
	What is principal component analysis? [My Copy] Nature Biotechnology, Vol. 26, No. 3. (01 March 2008), pp. 303-304. by Markus Ringner posted by 73 people singhsh Jporci tnhh ruvido ucbcjbm 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 baker-group fryanpan kengg rvosa FAB-lab dekay23 adacier Bioinformatics hpaces waghsk rchauhan pavanghatty kristgy jfr bibay2004 xingxu quianominorleo craigwilson06 ashko markusd dayjm dimka i-stevenson chrissp100 tharris ale mjoach HugoMarcelo jdiezperezj rrbarb Nici
	Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 41, No. 3. (1 May 2001), pp. 856-864. by Michael M. Hann, Andrew R. Leach, Gavin Harper posted by 5 people JALumley ubcg08l Fragment Based Drug Discovery pslee middledomain
	Docking and scoring in virtual screening for drug discovery: methods and applications. [My Copy] Nat Rev Drug Discov, Vol. 3, No. 11. (November 2004), pp. 935-949. by D. B. Kitchen, H. Decornez, J. R. Furr, J. Bajorath posted by 18 people LamBras robert85 BragilMassoud dgruiz beapen anita yongzhao marcius sangeetha Bioinformatics structure-bii TSRI_MGL Atopic_and_Seborrhoeic_Dermatitis Skin_Deep insilicodrug Applied_Bimatics BioinfoCIPF SGU-CIPF
	Identification of hot-spot residues in protein-protein interactions by computational docking. [My Copy] BMC bioinformatics, Vol. 9, No. 1. (2008) by Solène Grosdidier, Juan Fernández-Recio posted by 7 people ubcg08l pablocarb bicko grahamc higueruelo i000 neils
	Decoys for docking. [My Copy] J Med Chem, Vol. 48, No. 11. (2 June 2005), pp. 3714-3728. by A. P. Graves, R. Brenk, B. K. Shoichet posted by 13 people csrocha oteri simranjeet BragilMassoud dgruiz yongzhao sangeetha insilico blackbart Bioinformatics TSRI_MGL insilicodrug Computer Aided Drug Design
	Virtual screening using protein-ligand docking: avoiding artificial enrichment. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 3. (n 2004), pp. 793-806. by M. L. Verdonk, V. Berdini, M. J. Hartshorn, et al.W. T. Mooij, C. W. Murray, R. D. Taylor, P. Watson posted by 6 people BragilMassoud nachtalp sangeetha peprovy Bioinformatics insilicodrug
	Real Lives and White Lies in the Funding of Scientific Research [My Copy] PLoS Biol, Vol. 7, No. 9. (15 September 2009), e1000197. by Peter A. Lawrence posted by 54 people sfalsharif Geknitics Horduna ahmetbakan tsjipko Zephyrus JLab polivares ubcg08l Convention on Knowledge Commons ePortfolio jago Laurentjp pmcarlton nuin Yanno CulCog McCammon barry rodney dmnapolitano Caronte daveGerrard sobolevnrm cyounkin jshigh maren BergmanLab cisevol MurphysLab Khavkin's lab ArtemPankin ifiokoye jclau reyez lilith ngehlenborg eisdur tnhh antonkratz samjlord Torsten_Holmer ommachi rdiaz druvus Borelli pedromts renatomilani Mycology stajich chriswillmott dullhunk Journal picks ppgardne
	Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors. [My Copy] J Med Chem, Vol. 47, No. 20. (23 September 2004), pp. 4818-4828. by M. Y. Mizutani, A. Itai posted by 7 people sangeetha joergkurtwegner Bioinformatics Molecular-Modelling Drug-Design Cheminformatics insilicodrug
	Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy. [My Copy] J Med Chem, Vol. 47, No. 1. (1 January 2004), pp. 45-55. by J. A. Erickson, M. Jalaie, D. H. Robertson, R. A. Lewis, M. Vieth posted by 10 people oteri BragilMassoud apaydin yongzhao sangeetha daevans kazemi Bioinformatics TSRI_MGL insilicodrug
	Unraveling hot spots in binding interfaces: progress and challenges. [My Copy] Current opinion in structural biology, Vol. 12, No. 1. (February 2002), pp. 14-20. by Warren L. DeLano posted by 4 people ubcg08l bicko Dualsystems higueruelo
	Ligand-based structural hypotheses for virtual screening. [My Copy] J Med Chem, Vol. 47, No. 4. (12 February 2004), pp. 947-961. by A. N. Jain posted by 7 people BragilMassoud nachtalp sangeetha schlauchi jarasch Bioinformatics insilicodrug
	Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design. [My Copy] Journal of computer-aided molecular design (5 August 2008) by Michael G. Lerner, Kristin L. Meagher, Heather A. Carlson posted by 4 people McCammon jmccammon sschurer higueruelo
	Transforming fragments into candidates: small becomes big in medicinal chemistry [My Copy] Drug Discovery Today, Vol. 14, No. 13-14. (31 July 2009), pp. 630-646. by Gerdien E. de Kloe, David Bailey, Rob Leurs, Iwan J. P. de Esch posted by 3 people sschurer Fragment Based Drug Discovery pslee
	Guided Docking Approaches to Structure-Based Design and Screening [My Copy] Current Topics in Medicinal Chemistry, Vol. 4, No. 7. (March 2004), pp. 687-700. by X. Fradera, J. Mestres posted by 7 people Structural Biology Group TorVergata oteri LamBras dgruiz sangeetha Bioinformatics insilicodrug
	Protein-ligand interaction prediction: an improved chemogenomics approach [My Copy] Bioinformatics, Vol. 24, No. 19. (1 October 2008), pp. 2149-2156. by Laurent Jacob, Jean-Philippe Vert posted by 8 people jbesnard iaolier richardbickerton nilanjanroy ucbcjbm reyez GeeSharpMinor jxl
	Systems Biology: A Brief Overview [My Copy] Science, Vol. 295, No. 5560. (1 March 2002), pp. 1662-1664. by Hiroaki Kitano posted by 45 people pjmaybank kokphinchooi schmidtm abhishek_tiwari fgibson roys daforerog Scis0000002 agomez smac tlse65 fierykylin Adso dansullivanblk rsantana joseph_x_zhou reyez softsimu irenas Yanno Borelli wnpx biosv shivakumar3_14 dgront kehan cconboy mmt margaritis grahamc roland_ewald carmaus dbk-lab biodiversity_conservation Bioinformatics GrassBase dIEMoSIRIS MoSi-Rostock jdiezperezj maburkitt mertnuhoglu edvin lenov soramame_0518 nsamways
	BioRAT: extracting biological information from full-length papers [My Copy] Bioinformatics, Vol. 20, No. 17. (22 November 2004), pp. 3206-3213. by David P. A. Corney, Bernard F. Buxton, William B. Langdon, David T. Jones posted by 21 people robert85 Bioinformatics svozil BergmanLab cisevol arafalov camster snuppepuppan irenas Enro guhjy A_Olympia helliontroy massivemayhem Philosophy_of_Information dbk-lab Blog_and_Wiki_Research biomedical-nlp sobolevnrm baker-group satre
	GARD: A Generally Applicable Replacement for RMSD [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 8. (24 August 2009), pp. 1889-1900. by J. Christian Baber, David C. Thompson, Jason B. Cross, Christine Humblet posted by 5 people Structural Biology Group TorVergata A_Coletta_Thesis nickolay zimbo1 reyez
	Modeling Water Molecules in Protein-Ligand Docking Using GOLD. [My Copy] J Med Chem, Vol. 48, No. 20. (6 October 2005), pp. 6504-6515. by M. L. Verdonk, G. Chessari, J. C. Cole, et al.M. J. Hartshorn, C. W. Murray, J. W. Nissink, R. D. Taylor, R. Taylor posted by 6 people BragilMassoud sangeetha trmr superpyrin Bioinformatics insilicodrug
	PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules. [My Copy] J Comput Aided Mol Des, Vol. 10, No. 3. (June 1996), pp. 255-262. by D. M. van Aalten, R. Bywater, J. B. Findlay, M. Hendlich, R. W. Hooft, G. Vriend posted by 4 people dgruiz sangeetha Bioinformatics insilicodrug
	Gene Ontology: tool for the unification of biology [My Copy] Nature Genetics, Vol. 25, No. 1. (01 May 2000), pp. 25-29. by Michael Ashburner, Catherine A. Ball, Judith A. Blake, et al.David Botstein, Heather Butler, J. Michael Cherry, Allan P. Davis, Kara Dolinski, Selina S. Dwight, Janan T. Eppig, Midori A. Harris, David P. Hill, Laurie Issel-Tarver, Andrew Kasarskis, Suzanna Lewis, John C. Matese, Joel E. Richardson, Martin Ringwald, Gerald M. Rubin, Gavin Sherlock posted by 82 people Jporci artaban421 mtaschuk niallhaslam Zephyrus nicklynch mauriceccy pmendes jperkins timhubbard ipark-kaist jeremymiller vkwn MarcoAlvarez humburg mqbphcw3 kiekyon karinlag ocs marti robert85 allysonlister daforerog chasmand lawraga jorisslob bertelsen mshossain ajbattle paszkows coela fbristow kshameer anthropomorphism nolodie dagmar Robinder verdicchio raistrick BTS-PT-AS-CS vertikalist aalibes miguel dragonrez lfriedl chad_davis yas balajis indigoviolet benny dullhunk nirfriedman fisherp caporaso helliontroy zlu gurkanbebek djkt massivemayhem incovoma leechuck aconesa sgoetz javamint bootsy PunkRock natstreet naegele kdl Bioinformatics EisenLab T_lab biomedical-nlp CitoJam pablomendes carlk marck dgront roys rvosa FAB-lab fongenae
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	DESIGNING SCREENS: HOW TO MAKE YOUR HITS A HIT [My Copy] Nat Rev Drug Discov, Vol. 2, No. 4. (April 2003), pp. 259-266. by Patrick W. Walters, Mark Namchuk posted by 4 people rmk sangeetha Bioinformatics insilicodrug
	Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design. [My Copy] J Mol Graph Model, Vol. 22, No. 1. (September 2003), pp. 41-53. by R. Smith, R. E. Hubbard, D. A. Gschwend, A. R. Leach, A. C. Good posted by 4 people dgruiz sangeetha Bioinformatics insilicodrug
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	Shelling the Voronoi interface of protein-protein complexes reveals patterns of residue conservation, dynamics, and composition [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 76, No. 3. (23 January 2009), pp. 677-692. by Benjamin Bouvier, Raik Grünberg, Michael Nilges, Frédéric Cazals posted by 4 people richardbickerton baker-group sobolevnrm higueruelo
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	The OBO Foundry: coordinated evolution of ontologies to support biomedical data integration [My Copy] Nature Biotechnology, Vol. 25, No. 11. (07 November 2007), pp. 1251-1255. by Barry Smith, Michael Ashburner, Cornelius Rosse, et al.Jonathan Bard, William Bug, Werner Ceusters, Louis J. Goldberg, Karen Eilbeck, Amelia Ireland, Christopher J. Mungall, Neocles Leontis, Philippe Rocca-Serra, Alan Ruttenberg, Susanna-Assunta Sansone, Richard H. Scheuermann, Nigam Shah, Patricia L. Whetzel, Suzanna Lewis posted by 26 people vkwn beanformer druvus mqbphcw3 richardbickerton CameronNeylon nicklynch Scis0000002 jorisslob allysonlister tmmurali jfr dullhunk jandot cjeans leechuck sgoetz PunkRock sobolevnrm lenov baker-group AlexanderPico dansullivanblk dagmar marck fgibson
	DOCKING AND SCORING IN VIRTUAL SCREENING FOR DRUG DISCOVERY: METHODS AND APPLICATIONS [My Copy] Nat Rev Drug Discov, Vol. 3, No. 11. (November 2004), pp. 935-949. by Douglas B. Kitchen, Helene Decornez, John R. Furr, Jurgen Bajorath posted by 8 people Lombardo_7 LamBras sangeetha blackbart schlauchi Bioinformatics insilicodrug mingzhi
	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 by 17 people krapnik ucbcjbm flbarroso mikaellund baaden jwm bicko chad_davis dullhunk dgront drastic ruvido Radiation_Damage Stressosome Evangelia higueruelo timg
	Illuminating drug discovery with biological pathways. [My Copy] FEBS letters, Vol. 579, No. 8. (21 March 2005), pp. 1872-1877. by Gordana Apic, Tijana Ignjatovic, Scott Boyer, Robert B. Russell posted by 8 people richardbickerton ubcg08l kuhn Borelli chad_davis wnpx mikaelhuss renatomilani
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	LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation [My Copy] BMC Structural Biology, Vol. 6, No. 1. (24 September 2006), 19. by Bingding Huang, Michael Schroeder posted by 7 people superpyrin tomjad iaolier richardbickerton reyez tjimenez nickolay
	Deciphering Protein–Protein Interactions. Part II. Computational Methods to Predict Protein and Domain Interaction Partners [My Copy] PLoS Comput Biol, Vol. 3, No. 4. (27 April 2007), e43. by Benjamin A. Shoemaker, Anna R. Panchenko posted by 26 people aceol colmryan timg cerca jperkins chica kiekyon kshameer zdai Robinder giovenko Yanno guhjy aalibes bicko jfr chad_davis cjeans iris_2001 zwang lpfernandes groepl carlk Evangelia higueruelo phoenixzxl
	Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule. [My Copy] Proteins, Vol. 43, No. 2. (1 May 2001), pp. 217-226. by Y. Z. Chen, D. G. Zhi posted by 4 people BragilMassoud sangeetha Bioinformatics insilicodrug
	ConsDock: A new program for the consensus analysis of protein-ligand interactions. [My Copy] Proteins, Vol. 47, No. 4. (1 June 2002), pp. 521-533. by N. Paul, D. Rognan posted by 4 people BragilMassoud sangeetha Bioinformatics insilicodrug
	Quantifying biogenic bias in screening libraries. [My Copy] Nature chemical biology, Vol. 5, No. 7. (31 May 2009), pp. 479-483. by Jérôme Hert, John J. Irwin, Christian Laggner, Michael J. Keiser, Brian K. Shoichet posted by 2 people richardbickerton reyez
	Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations. [My Copy] J Med Chem, Vol. 43, No. 25. (14 December 2000), pp. 4759-4767. by C. Bissantz, G. Folkers, D. Rognan posted by 4 people BragilMassoud sangeetha Bioinformatics insilicodrug
	Multiple active site corrections for docking and virtual screening. [My Copy] J Med Chem, Vol. 47, No. 1. (1 January 2004), pp. 80-89. by G. P. Vigers, J. P. Rizzi posted by 4 people BragilMassoud sangeetha Bioinformatics insilicodrug
	STRING 7--recent developments in the integration and prediction of protein interactions. [My Copy] Nucleic Acids Res, Vol. 35, No. Database issue. (January 2007) by C. von Mering, L. J. Jensen, M. Kuhn, et al.S. Chaffron, T. Doerks, B. Krüger, B. Snel, P. Bork posted by 17 people anf dragonrez druvus Cortel wenhui chad_davis guhjy kuhn balajis fisherp raiyar massivemayhem larsjuhljensen higueruelo renatomilani carlk bicko
	PostDOCK: a structural, empirical approach to scoring protein ligand complexes. [My Copy] J Med Chem, Vol. 48, No. 22. (3 November 2005), pp. 6821-6831. by C. Springer, H. Adalsteinsson, M. M. Young, P. W. Kegelmeyer, D. C. Roe posted by 4 people nickolay sangeetha Bioinformatics insilicodrug
	Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance [My Copy] Journal of Medicinal Chemistry, Vol. 50, No. 4. (1 February 2007), pp. 726-741. by Michael J. Hartshorn, Marcel L. Verdonk, Gianni Chessari, et al.Suzanne C. Brewerton, Wijnand T. M. Mooij, Paul N. Mortenson, Christopher W. Murray posted by 10 people flbarroso GermanErlenkamp massivemayhem higueruelo BragilMassoud daevans ramensky hmk superpyrin thanatos
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	Making drugs on proteins: site-directed ligand discovery for fragment-based lead assembly. [My Copy] Curr Opin Chem Biol, Vol. 8, No. 4. (August 2004), pp. 399-406. by D. A. Erlanson, S. K. Hansen posted by 6 people mdimmic sangeetha kengg Bioinformatics insilicodrug Plantandetc
	Relating protein pharmacology by ligand chemistry [My Copy] Nat Biotech, Vol. 25, No. 2. (07 February 2007), pp. 197-206. by Michael J. Keiser, Bryan L. Roth, Blaine N. Armbruster, Paul Ernsberger, John J. Irwin, Brian K. Shoichet posted by 10 people pablocarb mnishimu ucbcjbm Yanno tjimenez kuhn daevans massivemayhem dgront jerome_ucsf_slb
	A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. [My Copy] J Med Chem, Vol. 45, No. 8. (11 April 2002), pp. 1712-1722. by S. L. McGovern, E. Caselli, N. Grigorieff, B. K. Shoichet posted by 5 people LamBras lna sangeetha Bioinformatics insilicodrug
	Druggability Indices for Protein Targets Derived from NMR-Based Screening Data [My Copy] Journal of Medicinal Chemistry, Vol. 48, No. 7. (1 April 2005), pp. 2518-2525. by Philip J. Hajduk, Jeffrey R. Huth, Stephen W. Fesik posted by 5 people ubcg08l kshameer caporaso biomedical-nlp higueruelo
	Mechanistic studies on the inactivation of the proteasome by lactacystin in cultured cells. [My Copy] J Biol Chem, Vol. 272, No. 1. (3 January 1997), pp. 182-188. by L. R. Dick, A. A. Cruikshank, A. T. Destree, et al.L. Grenier, T. A. McCormack, F. D. Melandri, S. L. Nunes, V. J. Palombella, L. A. Parent, L. Plamondon, R. L. Stein posted by 3 people sangeetha Bioinformatics insilicodrug