tbinbal's library 45 articles Export

	A new paradigm for protein kinase inhibition: blocking phosphorylation without directly targeting ATP binding. [My Copy] Drug discovery today, Vol. 12, No. 15-16. (August 2007), pp. 622-633. by M. A. Bogoyevitch, D. P. Fairlie posted to no-tag by tbinbal on 2009-07-30 11:19:54 as along with 4 people xtizon bicko higueruelo zimbo1
	Insights for the development of specific kinase inhibitors by targeted structural genomics. [My Copy] Drug discovery today, Vol. 12, No. 9-10. (May 2007), pp. 365-372. by O. Fedorov, M. Sundström, B. Marsden, S. Knapp posted to gleevec selectivity by tbinbal on 2009-07-30 11:13:15 as
	Structural reengineering of imatinib to decrease cardiac risk in cancer therapy. [My Copy] The Journal of clinical investigation, Vol. 117, No. 12. (December 2007), pp. 3650-3653. by G. D. Demetri posted to gleevec selectivity by tbinbal on 2009-07-30 10:58:43 as
	Flux (2): comparison of molecular mutation and crossover operators for ligand-based de novo design. [My Copy] Journal of chemical information and modeling, Vol. 47, No. 2. (r 2007), pp. 656-667. by U. Fechner, G. Schneider posted to de-no by tbinbal on 2009-07-14 06:07:14 as
	JAIL: a structure-based interface library for macromolecules [My Copy] Nucl. Acids Res., Vol. 37, No. suppl_1. (1 January 2009), pp. D338-341. by Stefan Gunther, Joachim von Eichborn, Patrick May, Robert Preissner posted to protein-protein by tbinbal on 2009-06-24 13:20:13 as
	Protein-protein interactions: structurally conserved residues distinguish between binding sites and exposed protein surfaces. [My Copy] Proc Natl Acad Sci U S A, Vol. 100, No. 10. (13 May 2003), pp. 5772-5777. by B. Ma, T. Elkayam, H. Wolfson, R. Nussinov posted to protein-protein by tbinbal on 2009-06-24 12:26:01 as along with 10 people and 2 groups dkoveal mdimmic barry bicko lyongu nickolay choonpeng cjeans carlescorbi ladab structural_bioinformatics Bioinformatics
	[duplicate] Fragment-based lead discovery: leads by design [My Copy] Drug Discovery Today, Vol. 10, No. 14. (15 July 2005), pp. 987-992. by R. Carr, M. Congreve, C. Murray, D. Rees posted to review fragment by tbinbal on 2009-06-24 11:21:26 as
	FRAGMENT-BASED LEAD DISCOVERY [My Copy] Nat Rev Drug Discov, Vol. 3, No. 8. (2004), pp. 660-672. by David C. Rees, Miles Congreve, Christopher W. Murray, Robin Carr posted to no-tag by tbinbal on 2009-06-24 11:16:53 as along with 3 people trmr massivemayhem superpyrin
	Fragment-based lead discovery: leads by design [My Copy] Drug Discovery Today, Vol. 10, No. 14. (15 July 2005), pp. 987-992. by R. Carr, M. Congreve, C. Murray, D. Rees posted to fragment review by tbinbal on 2009-06-24 11:06:06 as along with 1 person and 1 group pslee Fragment Based Drug Discovery
	Designing peptide receptor agonists and antagonists. [My Copy] Nature reviews. Drug discovery, Vol. 1, No. 11. (November 2002), pp. 847-858. by V. J. Hruby posted to peptidomimetic review by tbinbal on 2009-06-23 16:55:27 as
	Comments on the Definition of the Q2 Parameter for QSAR Validation [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 7. (27 July 2009), pp. 1669-1678. by Viviana Consonni, Davide Ballabio, Roberto Todeschini posted to qsar by tbinbal on 2009-06-23 07:13:02 as along with 4 people exciton zimbo1 carlosjavierna alfons
	Pseudoreceptor models in drug design: bridging ligand- and receptor-based virtual screening [My Copy] Nature Reviews Drug Discovery, Vol. 7, No. 8. (18 July 2008), pp. 667-677. by Yusuf Tanrikulu, Gisbert Schneider posted to leadopt review by tbinbal on 2009-05-30 06:55:30 as along with 1 person LamBras
	Drug discovery in the era of facebook-new tools for scientific networking. [My Copy] Drug discovery today (1 August 2008) by David S S. Bailey, Edward D D. Zanders posted to business review web by tbinbal on 2009-05-26 17:04:27 as along with 6 people druvus jfr Yanno jjcain00 dullhunk guhjy
	The design, structures and therapeutic potential of protein epitope mimetics [My Copy] Drug Discovery Today, Vol. 13, No. 21-22. (November 2008), pp. 944-951. by J. Robinson, S. Demarco, F. Gombert, K. Moehle, D. Obrecht posted to review by tbinbal on 2009-05-26 17:02:05 as
	Drug discovery: new models for industry-academic partnerships. [My Copy] Drug discovery today (3 November 2008) by Cathy J J. Tralau-Stewart, Colin A A. Wyatt, Dominique E E. Kleyn, Alex Ayad posted to eben industry review by tbinbal on 2009-05-26 16:56:41 as along with 3 people flbarroso nicklynch dullhunk
	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 to eben protein-protein review by tbinbal on 2009-05-26 16:54:45 as along with 4 people flbarroso sschurer pslee higueruelo
	Where is the hope for drug discovery? Let history tell the future. [My Copy] Drug discovery today (4 August 2008) by De-Xin X. Kong, Xue-Juan J. Li, Hong-Yu Y. Zhang posted to review by tbinbal on 2009-05-26 16:51:37 as along with 2 people flbarroso Yanno
	Taming the induced folding of drug-targeted kinases [My Copy] Trends in Pharmacological Sciences, Vol. 30, No. 2. (February 2009), pp. 66-71. by Ariel Fernández, Soledad Bazán, Jianping Chen posted to flexible kinase review by tbinbal on 2009-05-26 16:20:37 as
	The importance of discerning shape in molecular pharmacology. [My Copy] Trends in pharmacological sciences (31 January 2009) by Sandhya Kortagere, Matthew D D. Krasowski, Sean Ekins posted to eben review shape by tbinbal on 2009-05-26 16:18:17 as along with 2 people massivemayhem higueruelo
	Chapter 28 Fragment-Based Lead Discovery [My Copy] In Annual Reports in Medicinal Chemistry Volume 42, Vol. 42 (2007), pp. 431-448. by M. Congreve, C. Murray, R. Carr, D. Rees posted to fragment review by tbinbal on 2009-05-26 16:04:51 as
	Chapter 13 Targeting the Kinome with Computational Chemistry [My Copy] Annual Reports in Computational Chemistry, Vol. 1 (2005), pp. 185-202. by M. Lamb posted to eben kinase review by tbinbal on 2009-05-26 15:53:16 as
	Chapter 12 Structure-Based Lead Optimization [My Copy] Annual Reports in Computational Chemistry, Vol. 1 (2005), pp. 169-183. by D. Josephmccarthy posted to eben leadopt review structure-based by tbinbal on 2009-05-26 15:50:51 as
	Chapter 1 Structural Perspectives on Protein Evolution [My Copy] Annual Reports in Computational Chemistry, Vol. 4 (2008), pp. 3-21. by E. Franzosa, Y. Xia posted to evolution protein-protein review by tbinbal on 2009-05-26 15:35:50 as
	Chapter 2 Predicting Selectivity and Druggability in Drug Discovery [My Copy] Annual Reports in Computational Chemistry, Vol. 4 (2008), pp. 23-37. by A. Cheng posted to eben review selectivity by tbinbal on 2009-05-26 15:33:20 as
	Knowledge and Intelligence in Drug Design [My Copy] In Annual Reports in Medicinal Chemistry Volume 41, Vol. 41 (2006), pp. 425-437. by A. Hopkins, A. Polinsky posted to chemistry eben medicinal review by tbinbal on 2009-05-26 15:29:14 as
	From virtuality to reality - Virtual screening in lead discovery and lead optimization: a medicinal chemistry perspective. [My Copy] Current opinion in drug discovery & development, Vol. 11, No. 4. (July 2008), pp. 559-568. by U. Rester posted to leadopt review by tbinbal on 2009-05-26 12:56:59 as along with 1 person LamBras
	Identifying quality leads - an important factor in reducing attrition of clinical candidates. [My Copy] Current opinion in drug discovery & development, Vol. 10, No. 4. (July 2007), pp. 381-382. by S. Chackalamannil, M. C. Desai posted to attrition review by tbinbal on 2009-05-26 12:53:24 as
	Recent Advances in Chemoinformatics. [My Copy] J Chem Inf Model (May 2007) by Dimitris K. Agrafiotis, Deepak Bandyopadhyay, Jörg K. Wegner, Herman V. Vlijmen posted to review by tbinbal on 2009-05-26 12:02:14 as
	Drug discovery: past, present and future. [My Copy] Drug discovery today (10 October 2008) by Nafees N N. Malik posted to re by tbinbal on 2009-05-25 14:36:56 as along with 3 people psique nicklynch guhjy
	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 crystallography eben review by tbinbal on 2009-05-24 20:17:15 as along with 4 people ramalldf pslee massivemayhem thanatos
	A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application [My Copy] J. Chem. Inf. Model. (9 January 2007) by M. Baroni, G. Cruciani, S. Sciabola, F. Perruccio, J. S. Mason posted to grid ligand-based pharmacophore structure-based by tbinbal on 2009-05-21 12:51:09 as along with 2 people sschurer daevans
	Incorporating Molecular Shape into the Alignment-free GRid-INdependent Descriptors [My Copy] J. Med. Chem., Vol. 47, No. 11. (20 May 2004), pp. 2805-2815. by F. Fontaine, M. Pastor, F. Sanz posted to grid ligand-based pharmacophore shape surface by tbinbal on 2009-05-21 12:45:14 as along with 1 person daevans
	Development and Validation of AMANDA, a New Algorithm for Selecting Highly Relevant Regions in Molecular Interaction Fields [My Copy] J. Chem. Inf. Model. (12 August 2008) by Ángel Durán, Guillermo C. Martínez, Manuel Pastor posted to grid ligand-based pharmacophore by tbinbal on 2009-05-21 11:44:01 as along with 1 person middledomain
	Pharmacophore discovery--lessons learned. [My Copy] Current pharmaceutical design, Vol. 9, No. 20. (2003), pp. 1649-1664. by J. H. van Drie posted to eben ligand-based pharmacophore review by tbinbal on 2009-05-21 08:29:15 as
	Molecule-pharmacophore superpositioning and pattern matching in computational drug design [My Copy] Drug Discovery Today, Vol. 13, No. 1-2. (January 2008), pp. 23-29. by G. Wolber posted to ligand-based pharmacophore review by tbinbal on 2009-05-21 08:25:08 as
	Molecular field extrema as descriptors of biological activity: definition and validation. [My Copy] J Chem Inf Model, Vol. 46, No. 2. (r 2006), pp. 665-676. by T. Cheeseright, M. Mackey, S. Rose, A. Vinter posted to ligand-based mif pharmacophore by tbinbal on 2009-05-21 08:22:04 as along with 1 person daevans
	Efficient Drug Lead Discovery and Optimization [My Copy] Accounts of Chemical Research, Vol. 0, No. 0. (0000) by William L. Jorgensen posted to leadopt review by tbinbal on 2009-05-21 08:19:41 as along with 6 people and 2 groups nanonan Thermaneutist jmccammon superpyrin sschurer sobolevnrm McCammon baker-group
	MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 5. (1 May 2008), pp. 958-970. by Cristiano R. W. Guimarães, Mario Cardozo posted to leadopt rescoring by tbinbal on 2009-05-21 08:17:42 as along with 1 person LamBras
	CAN THE PHARMACEUTICAL INDUSTRY REDUCE ATTRITION RATES? [My Copy] Nat Rev Drug Discov, Vol. 3, No. 8. (2004), pp. 711-716. by Ismail Kola, John Landis posted to attrition business by tbinbal on 2009-05-21 08:09:54 as along with 2 people ph qfwills
	Towards more accurate pharmacophore modeling: Multicomplex-based comprehensive pharmacophore map and most-frequent-feature pharmacophore model of CDK2 [My Copy] Journal of Molecular Graphics and Modelling, Vol. 27, No. 4. (November 2008), pp. 430-438. by J. Zou, H. Xie, S. Yang, J. Chen, J. Ren, Y. Wei posted to pharmacophore structure-based by tbinbal on 2009-05-21 07:34:40 as along with 1 person sschurer
	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 structure-based by tbinbal on 2009-05-21 07:31:21 as along with 4 people superpyrin GermanErlenkamp apostola massivemayhem
	Targets Looking for Drugs: A Multistep Computational Protocol for the Development of Structure-Based Pharmacophores and Their Applications for Hit Discovery [My Copy] J. Chem. Inf. Model. (23 October 2008) by Cristina Tintori, Valentina Corradi, Matteo Magnani, Fabrizio Manetti, Maurizio Botta posted to grid pharmacophore structure-based by tbinbal on 2009-05-21 07:16:21 as along with 2 people superpyrin zimbo1
	GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition [My Copy] Bioinformatics, Vol. 22, No. 12. (15 June 2006), pp. 1449-1455. by Francesco Ortuso, Thierry Langer, Stefano Alcaro posted to grid pharmacophore structure-based surface by tbinbal on 2009-05-21 07:11:56 as
	Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 7. (1 July 2008), pp. 1396-1410. by Caterina Barillari, Gilles Marcou, Didier Rognan posted to pharmacophore structure-based by tbinbal on 2009-05-21 07:06:36 as along with 3 people xdeupi superpyrin higueruelo
	Four-dimensional Docking: a Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking [My Copy] posted to docking flexible by tbinbal on 2009-05-19 08:47:33 as

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