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	The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure. [My Copy] J Comput Aided Mol Des, Vol. 8, No. 3. (June 1994), pp. 243-256. by H. J. Böhm posted by 5 people BragilMassoud nachtalp nickolay papatonyhill schlauchi
	Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4. [My Copy] J Med Chem, Vol. 48, No. 7. (7 April 2005), pp. 2534-2547. by N. Triballeau, F. Acher, I. Brabet, J. P. Pin, H. O. Bertrand posted by 4 people BragilMassoud nachtalp peprovy schlauchi
	Validation of the general purpose tripos 5.2 force field [My Copy] Journal of Computational Chemistry, Vol. 10, No. 8. (7 September 2004), pp. 982-1012. by Matthew Clark, Richard D. Cramer, Nicole Van Opdenbosch posted by 4 people Gershom BragilMassoud nachtalp schlauchi
	Automatic identification and representation of protein binding sites for molecular docking. [My Copy] Protein Sci, Vol. 6, No. 3. (March 1997), pp. 524-533. by J. Ruppert, W. Welch, A. N. Jain posted by 3 people BragilMassoud nachtalp schlauchi
	Computational methods for the structural alignment of molecules. [My Copy] J Comput Aided Mol Des, Vol. 14, No. 3. (March 2000), pp. 215-232. by C. Lemmen, T. Lengauer posted by 5 people BragilMassoud tjimenez nachtalp schlauchi superpyrin
	Development and validation of a genetic algorithm for flexible docking. [My Copy] J Mol Biol, Vol. 267, No. 3. (4 April 1997), pp. 727-748. by G. Jones, P. Willett, R. C. Glen, A. R. Leach, R. Taylor posted by 3 people BragilMassoud nachtalp schlauchi
	Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. [My Copy] J Comput Aided Mol Des, Vol. 11, No. 5. (September 1997), pp. 425-445. by M. D. Eldridge, C. W. Murray, T. R. Auton, G. V. Paolini, R. P. Mee posted by 3 people BragilMassoud nachtalp schlauchi
	A fast flexible docking method using an incremental construction algorithm. [My Copy] J Mol Biol, Vol. 261, No. 3. (23 August 1996), pp. 470-489. by M. Rarey, B. Kramer, T. Lengauer, G. Klebe posted by 5 people BragilMassoud tjimenez nachtalp schlauchi superpyrin
	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
	Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine. [My Copy] J Med Chem, Vol. 46, No. 4. (13 February 2003), pp. 499-511. by A. N. Jain posted by 6 people oteri BragilMassoud nachtalp yongzhao schlauchi TSRI_MGL
	Automatic and Efficient Decomposition of Two-Dimensional Structures of Small Molecules for Fragment-Based High-Throughput Docking. [My Copy] J Med Chem, Vol. 49, No. 25. (14 December 2006), pp. 7384-7392. by Peter Kolb, Amedeo Caflisch posted by 3 people BragilMassoud nachtalp daevans
	Of molecules and humans. [My Copy] J Med Chem, Vol. 49, No. 22. (2 November 2006), pp. 6429-6434. by J. Gasteiger posted by 3 people BragilMassoud nachtalp jarasch
	Chemical genetics: tailoring tools for cell biology. [My Copy] Trends Cell Biol, Vol. 13, No. 5. (May 2003), pp. 270-277. by T. U. Mayer posted by 3 people BragilMassoud nachtalp jarasch
	Small molecule inhibitor of mitotic spindle bipolarity identified in a phenotype-based screen. [My Copy] Science, Vol. 286, No. 5441. (29 October 1999), pp. 971-974. by T. U. Mayer, T. M. Kapoor, S. J. Haggarty, R. W. King, S. L. Schreiber, T. J. Mitchison posted by 3 people BragilMassoud nachtalp jarasch
	A brief history of novel drug discovery technologies. [My Copy] Nat Rev Drug Discov, Vol. 2, No. 4. (April 2003), pp. 321-327. by L. J. Gershell, J. H. Atkins posted by 2 people BragilMassoud nachtalp
	Robust Ligand-Based Modeling of the Biological Targets of Known Drugs [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 10. (1 May 2006), pp. 2921-2938. by Ann E. Cleves, Ajay N. Jain posted by 4 people mnishimu BragilMassoud nachtalp jarasch
	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
	New formulation for derivatives of torsion angles and improper torsion angles in molecular mechanics: Elimination of singularities [My Copy] Journal of Computational Chemistry, Vol. 17, No. 9. (7 December 1998), pp. 1132-1141. by Arnaud Blondel, Martin Karplus posted by 2 people BragilMassoud nachtalp
	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
	FlexX-Scan: fast, structure-based virtual screening. [My Copy] Proteins, Vol. 57, No. 3. (15 November 2004), pp. 504-517. by I. Schellhammer, M. Rarey posted by 2 people BragilMassoud nachtalp
	Evaluation of library ranking efficacy in virtual screening. [My Copy] J Comput Chem, Vol. 26, No. 1. (15 January 2005), pp. 11-22. by M. Kontoyianni, G. S. Sokol, L. M. McClellan posted by 6 people BragilMassoud nachtalp marcius schuwi BioinfoCIPF SGU-CIPF
	The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures. [My Copy] J Med Chem, Vol. 47, No. 12. (3 June 2004), pp. 2977-2980. by R. Wang, X. Fang, Y. Lu, S. Wang posted by 2 people BragilMassoud nachtalp
	Assessing scoring functions for protein-ligand interactions. [My Copy] J Med Chem, Vol. 47, No. 12. (3 June 2004), pp. 3032-3047. by P. Ferrara, H. Gohlke, D. J. Price, G. Klebe, C. L. Brooks posted by 4 people oteri AliceWang BragilMassoud nachtalp
	Automated drawing of structural molecular formulas under constraints. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 3. (n 2004), pp. 1065-1078. by P. C. Fricker, M. Gastreich, M. Rarey posted by 2 people BragilMassoud nachtalp
	Ligand-protein docking using a quantum stochastic tunneling optimization method. [My Copy] J Comput Chem, Vol. 25, No. 6. (30 April 2004), pp. 858-864. by R. L. Mancera, P. Källblad, N. P. Todorov posted by 2 people BragilMassoud nachtalp
	Ligand Depot: a data warehouse for ligands bound to macromolecules [My Copy] Bioinformatics, Vol. 20, No. 13. (1 September 2004), pp. 2153-2155. by Zukang Feng, Li Chen, Himabindu Maddula, et al.Ozgur Akcan, Rose Oughtred, Helen M. Berman, John Westbrook posted by 6 people flbarroso reyez BragilMassoud nachtalp bicko nickolay
	Using quaternions to calculate RMSD. [My Copy] J Comput Chem, Vol. 25, No. 15. (30 November 2004), pp. 1849-1857. by E. A. Coutsias, C. Seok, K. A. Dill posted by 7 people eskay Diego_Prada BragilMassoud apaydin nachtalp dgront rabio
	Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. [My Copy] J Med Chem, Vol. 47, No. 7. (25 March 2004), pp. 1739-1749. by R. A. Friesner, J. L. Banks, R. B. Murphy, et al.T. A. Halgren, J. J. Klicic, D. T. Mainz, M. P. Repasky, E. H. Knoll, M. Shelley, J. K. Perry, D. E. Shaw, P. Francis, P. S. Shenkin posted by 8 people snichols15 flbarroso BragilMassoud dgruiz cantupaz nachtalp LamBras dbougioukou
	Feature trees: a new molecular similarity measure based on tree matching. [My Copy] J Comput Aided Mol Des, Vol. 12, No. 5. (September 1998), pp. 471-490. by M. Rarey, J. S. Dixon posted by 2 people nachtalp schlauchi
	Maximum common subgraph isomorphism algorithms for the matching of chemical structures. [My Copy] J Comput Aided Mol Des, Vol. 16, No. 7. (July 2002), pp. 521-533. by J. W. Raymond, P. Willett posted by 3 people nachtalp schlauchi noby
	FLEXS: a method for fast flexible ligand superposition. [My Copy] J Med Chem, Vol. 41, No. 23. (5 November 1998), pp. 4502-4520. by C. Lemmen, T. Lengauer, G. Klebe posted by 5 people oteri tjimenez nachtalp schlauchi superpyrin
	Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function [My Copy] Journal of Computational Chemistry, Vol. 19, No. 14. (6 January 1998), pp. 1639-1662. by Garrett M. Morris, David S. Goodsell, Robert S. Halliday, et al.Ruth Huey, William E. Hart, Richard K. Belew, Arthur J. Olson posted by 25 people nickolay npt11tpn jamalex joule lna Lombardo_7 karinaecomp oteri A_Coletta_Thesis Chang group arlam dgruiz nachtalp P2324548 yongzhao peprovy tovrstra papatonyhill schlauchi carlescorbi TSRI_MGL middledomain LamBras andreramme UVA_mag_res
	How many drug targets are there? [My Copy] Nature Reviews Drug Discovery, Vol. 5, No. 12., pp. 993-996. by John P. Overington, Bissan Al-Lazikani, Andrew L. Hopkins posted by 12 people BragilMassoud cannin kuhn bicko mingzhi libr higueruelo srp33 ramensky aheilbut gemmalholliday ajaymalik
	GlamDock: Development and Validation of a New Docking Tool on Several Thousand Protein-Ligand Complexes. [My Copy] J Chem Inf Model, Vol. 47, No. 4. (g 2007), pp. 1657-1672. by S. Tietze, J. Apostolakis posted by 4 people klexa BragilMassoud schlauchi sim82
	Docking small ligands in flexible binding sites [My Copy] Journal of Computational Chemistry, Vol. 19, No. 1. (1998), pp. 21-37. by Joannis Apostolakis, Andreas Plückthun, Amedeo Caflisch posted by 4 people karinaecomp klexa BragilMassoud schlauchi
	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
	Development and validation of a modular, extensible docking program: DOCK 5. [My Copy] J Comput Aided Mol Des (6 December 2006) by Demetri T. Moustakas, P T. Lang, Scott Pegg, et al.Eric Pettersen, Irwin D. Kuntz, Natasja Brooijmans, Robert C. Rizzo posted by 4 people BragilMassoud yongzhao schlauchi TSRI_MGL
	A Critical Assessment of Docking Programs and Scoring Functions [My Copy] J. Med. Chem., Vol. 49, No. 20. (5 October 2006), pp. 5912-5931. by G. L. Warren, C. W. Andrews, A. M. Capelli, et al.B. Clarke, J. Lalonde, M. H. Lambert, M. Lindvall, N. Nevins, S. F. Semus, S. Senger, G. Tedesco, I. D. Wall, J. M. Woolven, C. E. Peishoff, M. S. Head posted by 7 people skoddet ucbcjbm BragilMassoud aalibes schlauchi daevans superpyrin
	RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs [My Copy] The Computer Journal, Vol. 45, No. 6. (1 June 2002), pp. 631-644. by John W. Raymond, Eleanor J. Gardiner, Peter Willett posted by 8 people BragilMassoud schlauchi koerner jarasch simons noby superpyrin jcrab
	Minimizing false positives in kinase virtual screens. [My Copy] Proteins (17 May 2006) by Emanuele Perola posted by 2 people BragilMassoud schlauchi
	sc-PDB: an annotated database of druggable binding sites from the Protein Data Bank. [My Copy] J Chem Inf Model, Vol. 46, No. 2. (r 2006), pp. 717-727. by E. Kellenberger, P. Muller, C. Schalon, G. Bret, N. Foata, D. Rognan posted by 8 people BragilMassoud caporaso schlauchi daevans ramensky biomedical-nlp sim82 nickolay
	Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking. [My Copy] Proteins, Vol. 37, No. 2. (1 November 1999), pp. 228-241. by B. Kramer, M. Rarey, T. Lengauer posted by 2 people BragilMassoud schlauchi
	ROCR: visualizing classifier performance in R. [My Copy] Bioinformatics (11 August 2005) by Tobias Sing, Oliver Sander, Niko Beerenwinkel, Thomas Lengauer posted by 16 people natstreet druvus BragilMassoud ana barry Ayest lyongu marcius schlauchi gokhan za structural_bioinformatics Bioinformatics BioinfoCIPF SGU-CIPF bertelsen
	Searching techniques for databases of two- and three-dimensional chemical structures. [My Copy] J Med Chem, Vol. 48, No. 13. (30 June 2005), pp. 4183-4199. by P. Willett posted by 2 people BragilMassoud schlauchi
	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
	A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance. [My Copy] Proteins, Vol. 56, No. 2. (1 August 2004), pp. 235-249. by E. Perola, W. P. Walters, P. S. Charifson posted by 9 people oteri ramensky BragilMassoud yongzhao marcius schlauchi TSRI_MGL BioinfoCIPF SGU-CIPF
	Placement of medium-sized molecular fragments into active sites of proteins. [My Copy] J Comput Aided Mol Des, Vol. 10, No. 1. (February 1996), pp. 41-54. by M. Rarey, S. Wefing, T. Lengauer posted by 3 people BragilMassoud tjimenez schlauchi
	Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening. [My Copy] J Med Chem, Vol. 47, No. 7. (25 March 2004), pp. 1750-1759. by T. A. Halgren, R. B. Murphy, R. A. Friesner, et al.H. S. Beard, L. L. Frye, W. T. Pollard, J. L. Banks posted by 5 people snichols15 flbarroso BragilMassoud schlauchi LamBras
	Scaffold-Hopping: How Far Can You Jump? [My Copy] QSAR & Combinatorial Science, Vol. 25, No. 12. (2006), pp. 1162-1171. by Gisbert Schneider, Petra Schneider, Steffen Renner posted by 2 people LamBras nachtalp
	Viral enzymes. [My Copy] Curr Opin Struct Biol (3 November 2006) by Jeroen R R. Mesters, Jinzhi Tan, Rolf Hilgenfeld posted by 1 person nachtalp
	Quantification of insect genome divergence. [My Copy] Trends Genet (8 November 2006) by Evgeny M M. Zdobnov, Peer Bork posted by 5 people nachtalp indigoviolet balicea EisenLab maximilianh
	Strategies for developing vaccines against H5N1 influenza A viruses. [My Copy] Trends Mol Med, Vol. 12, No. 11. (November 2006), pp. 506-514. by T. Horimoto, Y. Kawaoka posted by 1 person nachtalp
	Drug addiction: the neurobiology of disrupted self-control. [My Copy] Trends Mol Med (25 October 2006) by Ruben D D. Baler, Nora D D. Volkow posted by 1 person nachtalp
	EMCSS: A New Method for Maximal Common Substructure Search [My Copy] J. Chem. Inf. Model., Vol. 37, No. 5. (22 September 1997), pp. 828-834. by T. Wang, J. Zhou posted by 2 people nachtalp noby
	Virtual screening - an overview [My Copy] Drug Discovery Today, Vol. 3, No. 4. (April 1998), pp. 160-178. by Patrick W. Walters, Matthew T. Stahl, Mark A. Murcko posted by 2 people LamBras nachtalp
	A knowledge-based weighting approach to ligand-based virtual screening. [My Copy] J Chem Inf Model, Vol. 46, No. 2. (r 2006), pp. 587-596. by N. Stiefl, A. Zaliani posted by 1 person nachtalp
	Further development of reduced graphs for identifying bioactive compounds. [My Copy] J Chem Inf Comput Sci, Vol. 43, No. 2. (r 2003), pp. 346-356. by E. J. Barker, E. J. Gardiner, V. J. Gillet, P. Kitts, J. Morris posted by 2 people nachtalp superpyrin
	Open-source software: not quite endsville. [My Copy] Drug Discov Today, Vol. 10, No. 3. (1 February 2005), pp. 219-222. by M. T. Stahl posted by 2 people nachtalp nicklynch
	Multiple-ligand-based virtual screening: methods and applications of the MTree approach. [My Copy] J Med Chem, Vol. 48, No. 21. (20 October 2005), pp. 6575-6584. by G. Hessler, M. Zimmermann, H. Matter, et al.A. Evers, T. Naumann, T. Lengauer, M. Rarey posted by 2 people nachtalp jarasch
	The meaning and use of the area under a receiver operating characteristic (ROC) curve. [My Copy] Radiology, Vol. 143, No. 1. (1 April 1982), pp. 29-36. by J. A. Hanley, B. J. McNeil posted by 21 people gtaralds olberd tuckmobile lingendj misonneh Flit neteler nachtalp microserf mdreid Repton frohike jarasch bootsy girschick biodiversity_conservation Global_biodiversity_model Bioinformatics Statistical Machine Learning adoms tubbens
	Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm. [My Copy] J Chem Inf Comput Sci, Vol. 42, No. 2. (r 2002), pp. 305-316. by J. W. Raymond, E. J. Gardiner, P. Willett posted by 2 people jerome nachtalp
	An efficient molecular docking using conformational space annealing. [My Copy] J Comput Chem, Vol. 26, No. 1. (15 January 2005), pp. 78-87. by K. Lee, C. Czaplewski, S. Y. Kim, J. Lee posted by 3 people nachtalp yongzhao TSRI_MGL
	Creating artificial binding pocket boundaries to improve the efficiency of flexible ligand docking. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 4. (g 2004), pp. 1412-1422. by W. M. Brown, D. L. Vander Jagt posted by 1 person nachtalp
	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
	Assessment of multiple binding modes in ligand-protein docking. [My Copy] J Med Chem, Vol. 47, No. 13. (17 June 2004), pp. 3334-3337. by P. Källblad, R. L. Mancera, N. P. Todorov posted by 2 people nachtalp nickolay
	A method for simultaneous alignment of multiple protein structures. [My Copy] Proteins, Vol. 56, No. 1. (1 July 2004), pp. 143-156. by M. Shatsky, R. Nussinov, H. J. Wolfson posted by 6 people tomjad nachtalp analogAI j3xucite carlescorbi kgutwin
	Finding more needles in the haystack: A simple and efficient method for improving high-throughput docking results. [My Copy] J Med Chem, Vol. 47, No. 11. (20 May 2004), pp. 2743-2749. by A. E. Klon, M. Glick, M. Thoma, P. Acklin, J. W. Davies posted by 2 people nachtalp sithmein
	SDOCKER: a method utilizing existing X-ray structures to improve docking accuracy. [My Copy] J Med Chem, Vol. 47, No. 12. (3 June 2004), pp. 3142-3148. by G. Wu, M. Vieth posted by 1 person nachtalp
	Assessment of docking poses: interactions-based accuracy classification (IBAC) versus crystal structure deviations. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 3. (n 2004), pp. 871-881. by R. T. Kroemer, A. Vulpetti, J. J. McDonald, et al.D. C. Rohrer, J. Y. Trosset, F. Giordanetto, S. Cotesta, C. McMartin, M. Kihlén, P. F. Stouten posted by 1 person nachtalp
	Rapid 3D protein structure database searching using information retrieval techniques. [My Copy] Bioinformatics, Vol. 20, No. 7. (1 May 2004), pp. 1045-1052. by Z. Aung, K. L. Tan posted by 2 people yuslinaz nachtalp
	Prediction of protein-protein interactions: the CAPRI experiment, its evaluation and implications. [My Copy] Curr Opin Struct Biol, Vol. 14, No. 2. (April 2004), pp. 242-249. by S. J. Wodak, R. Méndez posted by 5 people structural_bioinformatics csrocha nachtalp ffranca ruvido
	Virtual screening with flexible docking and COMBINE-based models. Application to a series of factor Xa inhibitors. [My Copy] J Med Chem, Vol. 47, No. 4. (12 February 2004), pp. 805-820. by M. Murcia, A. R. Ortiz posted by 2 people nachtalp superpyrin
	A pharmacophore docking algorithm and its application to the cross-docking of 18 HIV-NNRTI's in their binding pockets. [My Copy] Proteins, Vol. 54, No. 3. (15 February 2004), pp. 526-533. by F. Daeyaert, M. de Jonge, J. Heeres, et al.L. Koymans, P. Lewi, M. H. Vinkers, P. A. Janssen posted by 3 people nachtalp yongzhao TSRI_MGL
	A novel scoring function for molecular docking. [My Copy] J Comput Aided Mol Des, Vol. 17, No. 9. (September 2003), pp. 597-605. by A. E. Muryshev, D. N. Tarasov, A. V. Butygin, O. Y. Butygina, A. B. Aleksandrov, S. M. Nikitin posted by 1 person nachtalp
	Detailed analysis of scoring functions for virtual screening. [My Copy] J Med Chem, Vol. 44, No. 7. (29 March 2001), pp. 1035-1042. by M. Stahl, M. Rarey posted by 1 person nachtalp
	IcePick: a flexible surface-based system for molecular diversity. [My Copy] J Med Chem, Vol. 42, No. 1. (14 January 1999), pp. 60-66. by J. Mount, J. Ruppert, W. Welch, A. N. Jain posted by 1 person nachtalp
	Arby: automatic protein structure prediction using profile-profile alignment and confidence measures. [My Copy] Bioinformatics, Vol. 20, No. 14. (22 September 2004), pp. 2228-2235. by N. von Ohsen, I. Sommer, R. Zimmer, T. Lengauer posted by 1 person nachtalp
	MUSCLE: multiple sequence alignment with high accuracy and high throughput [My Copy] Nucl. Acids Res., Vol. 32, No. 5. (19 March 2004), pp. 1792-1797. by Robert C. Edgar posted by 32 people mgomes jeargle tomjad foxpowa esyoun natstreet dquest BioNica gjuggler edvin yylin treangen sebk agustinarce fhsantanna nachtalp bpb chrn jwm Haggan sanchezbuelna timflutre olympos martainn Radiation_Damage Stressosome newton1234 skumagai bmaust sconlan dmp kcrawlik
	A novel approach to predict active sites of enzyme molecules [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 55, No. 1. (1 April 2004), pp. 77-82. by Kuo-Chen Chou, Yu-dong Cai posted by 3 people barmak7282 nachtalp chrn
	Q-fit: a probabilistic method for docking molecular fragments by sampling low energy conformational space. [My Copy] J Comput Aided Mol Des, Vol. 16, No. 1. (January 2002), pp. 43-57. by R. M. Jackson posted by 1 person nachtalp
	A memory-efficient algorithm for multiple sequence alignment with constraints. [My Copy] Bioinformatics, Vol. 21, No. 1. (1 January 2005), pp. 20-30. by C. L. Lu, Y. P. Huang posted by 1 person nachtalp
	CORES: an automated method for generating three-dimensional models of protein/ligand complexes. [My Copy] J Med Chem, Vol. 47, No. 19. (9 September 2004), pp. 4731-4740. by B. J. Hare, W. P. Walters, P. R. Caron, G. W. Bemis posted by 2 people apaydin nachtalp
	Efficient similarity search in protein structure databases by k-clique hashing. [My Copy] Bioinformatics, Vol. 20, No. 10. (10 July 2004), pp. 1522-1526. by N. Weskamp, D. Kuhn, E. Hüllermeier, G. Klebe posted by 2 people tjimenez nachtalp
	SuperDrug: a conformational drug database [My Copy] Bioinformatics, Vol. 21, No. 9. (1 May 2005), pp. 1751-1753. by Andrean Goede, Mathias Dunkel, Cornelius Frommel, Robert Preissner posted by 4 people nachtalp kuhn massivemayhem reyez
	Enhancing the effectiveness of virtual screening by fusing nearest neighbor lists: a comparison of similarity coefficients. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 5. (t 2004), pp. 1840-1848. by M. Whittle, V. J. Gillet, P. Willett, A. Alex, J. Loesel posted by 3 people jerome nachtalp JALumley
	Development and evaluation of a generic evolutionary method for protein-ligand docking [My Copy] Journal of Computational Chemistry, Vol. 25, No. 6. (27 February 2004), pp. 843-857. by Jinn-Moon Yang posted by 4 people dgruiz nachtalp yongzhao TSRI_MGL
	Flexible docking under pharmacophore type constraints [My Copy] Journal of Computer-Aided Molecular Design, Vol. 16, No. 2. (1 February 2002), pp. 129-149. by Sally A. Hindle, Matthias Rarey, Christian Buning, Thomas Lengauer posted by 1 person pkolb
	Structure-based activity prediction for an enzyme of unknown function [My Copy] Nature (01 July 2007) by Johannes C. Hermann, Ricardo Marti-Arbona, Alexander A. Fedorov, et al.Elena Fedorov, Steven C. Almo, Brian K. Shoichet, Frank M. Raushel posted by 10 people operon tny ucbcjbm aheilbut tjimenez daevans zwang pkolb kimicc ivke
	Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy. [My Copy] J Med Chem, Vol. 49, No. 13. (29 June 2006), pp. 3759-3762. by Y. Lu, Z. Nikolovska-Coleska, X. Fang, et al.W. Gao, S. Shangary, S. Qiu, D. Qin, S. Wang posted by 3 people blackbart pkolb higueruelo
	Docking screens: right for the right reasons? [My Copy] Current topics in medicinal chemistry, Vol. 9, No. 9. (2009), pp. 755-770. by Peter Kolb, John J. Irwi posted by 1 person BragilMassoud
	Scoring ligand similarity in structure-based virtual screening [My Copy] Journal of Molecular Recognition, Vol. 9999, No. 9999. (2009), n/a. by Maria I. Zavodszky, Anjali Rohatgi, Jeffrey R. Van Voorst, Honggao Yan, Leslie A. Kuhn posted by 1 person BragilMassoud
	eHiTS: A new fast, exhaustive flexible ligand docking system [My Copy] Journal of Molecular Graphics and Modelling, Vol. 26, No. 1. (July 2007), pp. 198-212. by Z. Zsoldos, D. Reid, A. Simon, S. Sadjad, A. Johnson posted by 1 person BragilMassoud
	Protein−Ligand Docking against Non-Native Protein Conformers [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 11. (24 November 2008), pp. 2214-2225. by Marcel L. Verdonk, Paul N. Mortenson, Richard J. Hall, Michael J. Hartshorn, Christopher W. Murray posted by 3 people oteri BragilMassoud zimbo1
	On Random Rotations in $R^3$ [My Copy] Biometrika, Vol. 52, No. 3/4. (1965), pp. 636-639. by R. E. Miles posted by 1 person BragilMassoud
	Fully Automated Molecular Mechanics Based Induced Fit Protein-Ligand Docking Method. [My Copy] Journal of chemical information and modeling (25 September 2008) by Jürgen Koska, Velin Z. Spassov, Allister J. Maynard, et al.Lisa Yan, Nic Austin, Paul K. Flook, C M. Venkatachalam posted by 1 person BragilMassoud
	Assessment of programs for ligand binding affinity prediction. [My Copy] Journal of computational chemistry, Vol. 29, No. 8. (June 2008), pp. 1316-1331. by R. Kim, J. Skolnick posted by 1 person BragilMassoud
	An Alternative Method for the Evaluation of Docking Performance: RSR vs RMSD [My Copy] J. Chem. Inf. Model. (4 July 2008) by Dilmurat Yusuf, Andrew M. Davis, Gerard J. Kleywegt, Stefan Schmitt posted by 4 people BragilMassoud ahmetbakan reyez mcaruso13
	Managing bias in ROC curves. [My Copy] J Comput Aided Mol Des (7 February 2008) by Robert D. Clark, Daniel J. Webster-Clark posted by 2 people ihaque BragilMassoud
	How to do an evaluation: pitfalls and traps. [My Copy] J Comput Aided Mol Des (23 January 2008) by Paul C. Hawkins, Gregory L. Warren, A G. Skillman, Anthony Nicholls posted by 4 people massivemayhem BragilMassoud LamBras thanatos
	Maximum Common Binding Modes (MCBM): Consensus Docking Scoring Using Multiple Ligand Information and Interaction Fingerprints [My Copy] J. Chem. Inf. Model. (23 January 2008) by S. Renner, S. Derksen, S. Radestock, F. Morchen posted by 2 people BragilMassoud middledomain