thanatos's library 20 articles Export

	Limitations and lessons in the use of X-ray structural information in drug design [My Copy] Drug Discovery Today, Vol. 13, No. 19-20. (October 2008), pp. 831-841. by A. Davis, S. Stgallay, G. Kleywegt posted to no-tag by thanatos on 2008-12-02 13:20:43 as along with 4 people ramalldf tbinbal pslee massivemayhem
	Similarity and Dissimilarity: A Medicinal Chemist's View [My Copy] Perspectives in Drug Discovery and Design, Vol. 9-11, No. 0. (1 January 1998), pp. 225-252. by Hugo Kubinyi posted to cheminformatics similarity by thanatos on 2008-11-18 15:02:25 as
	A Flexible Similarity Measure for 3D Shapes Recognition [My Copy] IEEE Transactions on Pattern Analysis and Machine Intelligence, Vol. 26, No. 11. (2004), pp. 1507-1520. by Antonio Ad?, Miguel Ad? posted to shapes by thanatos on 2008-10-28 12:46:15 as
	Chemical Substructures that Enrich for Biological Activity. [My Copy] Bioinformatics (Oxford, England) (11 September 2008) by Justin Klekota, Frederick P P. Roth posted to cheminformatics substructures by thanatos on 2008-09-26 08:27:46 as along with 6 people Yanno raiyar zimbo1 dullhunk higueruelo massivemayhem
	Conformational Sampling of Druglike Molecules with MOE and Catalyst: Implications for Pharmacophore Modeling and Virtual Screening [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 9. (22 September 2008), pp. 1773-1791. by I-Jen Chen, Nicolas Foloppe posted to cheminformatics conformation by thanatos on 2008-09-04 08:19:43 as along with 1 person pmung
	Scaffold-hopping cascade yields potent inhibitors of 5-lipoxygenase [My Copy] ChemMedChem, Vol. 9999, No. 9999. (2008), NA. by Bettina Hofmann, Lutz Franke, Ewgenij Proschak, et al.Yusuf Tanrikulu, Petra Schneider, Dieter Steinhilber, Gisbert Schneider posted to cheminformatics virtual_screening by thanatos on 2008-08-11 08:12:21 as
	Retroviral integration process in the human genome: is it really non-random? A new statistical approach. [My Copy] PLoS computational biology, Vol. 4, No. 8. (August 2008) by A. Ambrosi, C. Cattoglio, C. Di Serio posted to retrovirus statistics by thanatos on 2008-08-11 08:11:03 as
	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 to cheminformatics docking by thanatos on 2008-07-15 16:53:15 as along with 9 people flbarroso GermanErlenkamp massivemayhem higueruelo BragilMassoud daevans ramensky hmk superpyrin
	Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations [My Copy] J. Chem. Inf. Model., Vol. 46, No. 4. (24 July 2006), pp. 1848-1861. by J. Kirchmair, G. Wolber, C. Laggner, T. Langer posted to cheminformatics conformation by thanatos on 2008-07-15 14:02:45 as along with 1 person daevans
	Diversity Space and Its Application to Library Selection and Design [My Copy] J. Chem. Inf. Model., Vol. 46, No. 4. (24 July 2006), pp. 1588-1597. by S. H. Fitzgerald, M. Sabat, H. M. Geysen posted to cheminformatics combinatorial_libraries by thanatos on 2008-07-15 13:58:47 as
	Comparison of Shape-Matching and Docking as Virtual Screening Tools [My Copy] J. Med. Chem., Vol. 50, No. 1. (11 January 2007), pp. 74-82. by P. C. D. Hawkins, A. G. Skillman, A. Nicholls posted to cheminformatics docking shapes by thanatos on 2008-07-11 12:46:06 as along with 7 people klexa LamBras BragilMassoud nachtalp apostola schlauchi daevans
	Comparison of Topological, Shape, and Docking Methods in Virtual Screening. [My Copy] J Chem Inf Model (26 June 2007) by Georgia B. McGaughey, Robert P. Sheridan, Christopher I. Bayly, et al.J C. Culberson, Constantine Kreatsoulas, Stacey Lindsley, Vladimir Maiorov, Jean-Francois F. Truchon, Wendy D. Cornell posted to cheminformatics docking shapes virtual_screening by thanatos on 2008-07-11 12:45:15 as along with 6 people and 1 group LamBras BragilMassoud daevans steff83 middledomain ucbcjbm Computer Aided Drug Design
	Knockouts model the 100 best-selling drugs--will they model the next 100? [My Copy] Nat Rev Drug Discov, Vol. 2, No. 1. (January 2003), pp. 38-51. by B. P. Zambrowicz, A. T. Sands posted to pharmacy targets by thanatos on 2008-07-11 12:43:35 as along with 2 people jeremymiller kuhn
	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 to pharmacy targets by thanatos on 2008-07-11 12:42:57 as along with 8 people and 1 group bicko semin richardbickerton kuhn apostola dullhunk caporaso higueruelo biomedical-nlp
	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 to cheminformatics statistics by thanatos on 2008-07-01 17:26:53 as along with 3 people massivemayhem BragilMassoud LamBras
	Application and limitations of X-ray crystallographic data in structure-based ligand and drug design. [My Copy] Angewandte Chemie (International ed. in English), Vol. 42, No. 24. (23 June 2003), pp. 2718-2736. by Andrew M. Davis, Simon J. Teague, Gerard J. Kleywegt posted to crystallography by thanatos on 2008-06-30 10:10:31 as along with 3 people and 2 groups oteri apaydin sangeetha Bioinformatics insilicodrug
	Conformational flexibility and receptor interaction [My Copy] Bioorganic & Medicinal Chemistry, Vol. 6, No. 6. (June 1998), pp. 785-788. by Lambert H. Janssen posted to conformation by thanatos on 2008-06-30 10:06:10 as
	Conformational Diversity of Ligands Bound to Proteins [My Copy] Journal of Molecular Biology, Vol. 356, No. 4. (3 March 2006), pp. 928-944. by Gareth R. Stockwell, Janet M. Thornton posted to conformation by thanatos on 2008-06-30 10:04:07 as along with 7 people JALumley ubcg08l BragilMassoud apaydin kuhn bilab grottenolm
	Classification of kinase inhibitors using a Bayesian model. [My Copy] J Med Chem, Vol. 47, No. 18. (26 August 2004), pp. 4463-4470. by X. Xia, E. G. Maliski, P. Gallant, D. Rogers posted to bayes cheminformatics classification pipelinepilot by thanatos on 2008-06-30 10:02:01 as along with 3 people jerome kuhn LamBras
	Molecular Shape Diversity of Combinatorial Libraries: A Prerequisite for Broad Bioactivity [My Copy] J. Chem. Inf. Comput. Sci., Vol. 43, No. 3. (27 May 2003), pp. 987-1003. by W. H. B. Sauer, M. K. Schwarz posted to cheminformatics combinatorial_libraries shapes by thanatos on 2008-06-17 19:36:36 as

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cheminformatics	12
conformation	4
shapes	4
docking	3
combinatorial_libraries	2
pharmacy	2
statistics	2
targets	2
virtual_screening	2
bayes	1
classification	1
crystallography	1
pipelinepilot	1
retrovirus	1
similarity	1
substructures	1

thanatos's library 20 articles Export

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