Nickolay Khazanov's Top Recommendations

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	Automated prediction of ligand-binding sites in proteins [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA. by Rodney Harris, Arthur J. Olson, David S. Goodsell posted by 5 people iaolier oteri tjimenez carlescorbi RamuAnandakrishnan
	Using structural motif descriptors for sequence-based binding site prediction. [My Copy] BMC bioinformatics, Vol. 8 Suppl 4 (2007) by Andreas Henschel, Christof Winter, Wan Kyu K. Kim, Michael Schroeder posted by 4 people winterschlaefer iaolier tjimenez Evangelia
	A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sites. [My Copy] BMC Bioinformatics, Vol. 8 Suppl 4 (2007) by L. Xie, P. E. Bourne posted by 3 people iaolier tjimenez higueruelo
	Analysis and prediction of functionally important sites in proteins. [My Copy] Protein Sci, Vol. 16, No. 1. (January 2007), pp. 4-13. by S. Chakrabarti, C. J. Lanczycki posted by 7 people iaolier reyez tjimenez annotator_2006 MaggieYe zwang Jporci
	Automated selection of positions determining functional specificity of proteins by comparative analysis of orthologous groups in protein families [My Copy] Protein Sci, Vol. 13, No. 2. (1 February 2004), pp. 443-456. by Olga V. Kalinina, Andrey A. Mironov, Mikhail S. Gelfand, Aleksandra B. Rakhmaninova posted by 2 people sriram_s tjimenez
	Protein clefts in molecular recognition and function. [My Copy] Protein Sci, Vol. 5, No. 12. (December 1996), pp. 2438-2452. by R. A. Laskowski, N. M. Luscombe, M. B. Swindells, J. M. Thornton posted by 2 people tjimenez sriram_s
	SURFNET: a program for visualizing molecular surfaces, cavities, and intermolecular interactions. [My Copy] Journal of molecular graphics, Vol. 13, No. 5. (October 1995) by R. A. Laskowski posted by 3 people pavanghatty tjimenez sriram_s
	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 by 15 people barmak7282 ucbcjbm pablocarb tjimenez baaden chrn jwm gbart tny sriram_s massivemayhem siebertm Radiation_Damage Stressosome grottenolm
	Using a neural network and spatial clustering to predict the location of active sites in enzymes. [My Copy] J Mol Biol, Vol. 330, No. 4. (18 July 2003), pp. 719-734. by A. Gutteridge, G. J. Bartlett, J. M. Thornton posted by 9 people ramiro2k chrn Einat alexg gbart eweaver sriram_s structural_bioinformatics tjimenez
	In silico identification of functional regions in proteins. [My Copy] Bioinformatics, Vol. 21 Suppl 1 (1 June 2005) by G. Nimrod, F. Glaser, D. Steinberg, N. Ben-Tal, T. Pupko posted by 3 people iaolier bicko sriram_s
	Moment invariants as shape recognition technique for comparing protein binding sites [My Copy] Bioinformatics, Vol. 23, No. 23. (1 December 2007), pp. 3139-3146. by Ingolf Sommer, Oliver Muller, Francisco S. Domingues, Oliver Sander, Joachim Weickert, Thomas Lengauer posted by 2 people carlescorbi tjimenez
	Interaction-site prediction for protein complexes: a critical assessment [My Copy] Bioinformatics, Vol. 23, No. 17. (1 September 2007), pp. 2203-2209. by Huan-Xiang Zhou, Sanbo Qin posted by 15 people dfdong jinghu_fandm flbarroso timg phoenixzxl tjimenez bicko malcook zwang cabbagezs niallhaslam carlescorbi marti higueruelo kintoki
	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
	RigFit: a new approach to superimposing ligand molecules. [My Copy] J Comput Aided Mol Des, Vol. 12, No. 5. (September 1998), pp. 491-502. by C. Lemmen, C. Hiller, T. Lengauer posted by 3 people tjimenez schlauchi superpyrin
	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
	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
	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
	Automatic generation of 3D motifs for classification of protein binding sites [My Copy] BMC Bioinformatics, Vol. 8 (30 August 2007), 321. by Jean-Christophe Nebel, Pawel Herzyk, David R. Gilbert posted by 5 people iaolier shadowman carlescorbi Evangelia Minty
	A new bioinformatic approach to detect common 3D sites in protein structures. [My Copy] Proteins, Vol. 52, No. 2. (1 August 2003), pp. 137-145. by M. Jambon, A. Imberty, G. Deléage, C. Geourjon posted by 2 people tomjad tjimenez
	Functional sites in protein families uncovered via an objective and automated graph theoretic approach. [My Copy] Journal of molecular biology, Vol. 326, No. 3. (21 February 2003), pp. 955-978. by P. P. Wangikar, A. V. Tendulkar, S. Ramya, D. N. Mali, S. Sarawagi posted by 1 person tjimenez
	MODBASE, a database of annotated comparative protein structure models and associated resources. [My Copy] Nucleic acids research, Vol. 37, No. Database issue. (23 January 2009) by Ursula Pieper, Narayanan Eswar, Ben M. Webb, et al.David Eramian, Libusha Kelly, David T. Barkan, Hannah Carter, Parminder Mankoo, Rachel Karchin, Marc A. Marti-Renom, Fred P. Davis, Andrej Sali posted by 4 people tjimenez noraziz medic0747 chad_davis
	Comparison of correlation vector methods for ligand-based similarity searching. [My Copy] Journal of computer-aided molecular design, Vol. 17, No. 10. (October 2003), pp. 687-698. by U. Fechner, L. Franke, S. Renner, P. Schneider, G. Schneider posted by 1 person tjimenez
	Autocorrelation of molecular electrostatic potential surface properties combined with partial least squares analysis as alternative attractive tool to generate ligand-based 3D-QSARs. [My Copy] Current drug discovery technologies, Vol. 2, No. 1. (March 2005), pp. 13-21. by S. Moro, M. Bacilieri, C. Ferrari, G. Spalluto posted by 1 person tjimenez
	Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: dopamine and benzodiazepine agonists. [My Copy] Journal of chemical information and computer sciences, Vol. 36, No. 6. (c 1996), pp. 1205-1213. by H. Bauknecht, A. Zell, H. Bayer, et al.P. Levi, M. Wagener, J. Sadowski, J. Gasteiger posted by 1 person tjimenez
	Using orthologous and paralogous proteins to identify specificity determining residues. [My Copy] Genome biology, Vol. 3, No. 3. (2002) by L. A. Mirny, M. S. Gelfand posted by 1 person tjimenez
	Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases. [My Copy] Journal of chemical information and modeling, Vol. 46, No. 3. (n 2006), pp. 1124-1133. by Nidhi, M. Glick, J. W. Davies, J. L. Jenkins posted by 1 person tjimenez
	Ligand-based approach to in silico pharmacology: nuclear receptor profiling. [My Copy] Journal of chemical information and modeling, Vol. 46, No. 6. (c 2006), pp. 2725-2736. by J. Mestres, L. Martín-Couce, E. Gregori-Puigjané, M. Cases, S. Boyer posted by 1 person tjimenez
	Substructure-based support vector machine classifiers for prediction of adverse effects in diverse classes of drugs. [My Copy] Journal of chemical information and modeling, Vol. 46, No. 6. (c 2006), pp. 2478-2486. by S. Bhavani, A. Nagargadde, A. Thawani, V. Sridhar, N. Chandra posted by 1 person tjimenez
	"Bayes affinity fingerprints" improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept? [My Copy] Journal of chemical information and modeling, Vol. 46, No. 6. (c 2006), pp. 2445-2456. by A. Bender, J. L. Jenkins, M. Glick, Z. Deng, J. H. Nettles, J. W. Davies posted by 1 person tjimenez
	Chemical and biological profiling of an annotated compound library directed to the nuclear receptor family. [My Copy] Current topics in medicinal chemistry, Vol. 5, No. 8. (2005), pp. 763-772. by M. Cases, R. García-Serna, K. Hettne, et al.M. Weeber, J. van der Lei, S. Boyer, J. Mestres posted by 1 person tjimenez
	Chemical Fragments as Foundations for Understanding Target Space and Activity Prediction [My Copy] Journal of Medicinal Chemistry, Vol. 51, No. 9. (1 May 2008), pp. 2689-2700. by Jeffrey J. Sutherland, Richard E. Higgs, Ian Watson, Michal Vieth posted by 1 person tjimenez
	MSDmotif: exploring protein sites and motifs [My Copy] BMC Bioinformatics, Vol. 9, No. 1. (2008), 312. by Adel Golovin, Kim Henrick posted by 7 people pansapiens HawkinsJohnC tjimenez reyez massivemayhem chad_davis Evangelia
	Recognizing the fold of a protein structure. [My Copy] Bioinformatics (Oxford, England), Vol. 19, No. 14. (22 September 2003), pp. 1748-1759. by Andrew Harrison, Frances Pearl, Ian Sillitoe, et al.Tim Slidel, Richard Mott, Janet Thornton, Christine Orengo posted by 4 people Orengo Group Journal Picks sillitoe tjimenez AbnerCYH
	SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfaces. [My Copy] Journal of molecular modeling, Vol. 14, No. 5. (May 2008), pp. 393-401. by W. Cai, J. Xu, X. Shao, V. Leroux, A. Beautrait, B. Maigret posted by 1 person tjimenez
	Protein-ligand recognition using spherical harmonic molecular surfaces: towards a fast and efficient filter for large virtual throughput screening. [My Copy] Journal of molecular graphics & modelling, Vol. 20, No. 4. (January 2002), pp. 313-328. by W. Cai, X. Shao, B. Maigret posted by 1 person tjimenez
	An evaluation of spherical designs for molecular-like surfaces. [My Copy] Journal of molecular graphics & modelling, Vol. 24, No. 5. (March 2006), pp. 356-361. by R. J. Morris posted by 1 person tjimenez
	An analytical, variable resolution, complete description of static molecules and their intermolecular binding properties. [My Copy] Journal of chemical information and modeling, Vol. 45, No. 4. (g 2005), pp. 1010-1016. by J. H. Lin, T. Clark posted by 1 person tjimenez
	Molecular shape and electrostatics in the encoding of relevant chemical information. [My Copy] Journal of computer-aided molecular design, Vol. 19, No. 9-10. (t 2005), pp. 661-686. by A. Nicholls, J. A. Grant posted by 2 people flbarroso tjimenez
	Toward High Throughput 3D Virtual Screening Using Spherical Harmonic Surface Representations [My Copy] Journal of Chemical Information and Modeling, Vol. 47, No. 5. (1 September 2007), pp. 1787-1796. by Lazaros Mavridis, Brian D. Hudson, David W. Ritchie posted by 2 people ubcg08l tjimenez
	An extension of spherical harmonics to region-based rotationally invariant descriptors for molecular shape description and comparison. [My Copy] Journal of molecular graphics & modelling, Vol. 26, No. 7. (April 2008), pp. 1035-1045. by L. Mak, S. Grandison, R. J. Morris posted by 1 person tjimenez
	Rotation invariant spherical harmonic representation of 3D shape descriptors [My Copy] (2003) by M. Kazhdan, T. Funkhouser, S. Rusinkiewicz posted by 1 person tjimenez
	Efficient shape descriptors for feature extraction in 3D protein structures. [My Copy] In silico biology, Vol. 7, No. 2. (2007), pp. 169-174. by A. Ranganath, K. C. Shet, N. Vidyavathi posted by 1 person tjimenez
	Virtual screening in drug discovery -- a computational perspective. [My Copy] Current protein & peptide science, Vol. 8, No. 4. (August 2007), pp. 329-351. by A. S. Reddy, S. P. Pati, P. P. Kumar, H. N. Pradeep, G. N. Sastry posted by 2 people flbarroso tjimenez
	Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches. [My Copy] Drug discovery today, Vol. 12, No. 5-6. (March 2007), pp. 225-233. by H. Eckert, J. Bajorath posted by 1 person tjimenez
	Shape Signatures: speeding up computer aided drug discovery [My Copy] Drug Discovery Today, Vol. 11, No. 19-20. (October 2006), pp. 895-904. by Peter J. Meek, Zhiwei Liu, Lifeng Tian, Ching Y. Wang, William J. Welsh, Randy J. Zauhar posted by 2 people sithmein tjimenez
	Utilising structural knowledge in drug design strategies: applications using Relibase. [My Copy] Journal of molecular biology, Vol. 326, No. 2. (14 February 2003), pp. 621-636. by J. Günther, A. Bergner, M. Hendlich, G. Klebe posted by 1 person tjimenez
	Finding functional sites in structural genomics proteins. [My Copy] Structure (London, England : 1993), Vol. 12, No. 8. (August 2004), pp. 1405-1412. by A. Stark, A. Shkumatov, R. B. Russell posted by 1 person tjimenez
	Empirical rules facilitate the search for binding sites on protein surfaces. [My Copy] Journal of molecular graphics & modelling, Vol. 25, No. 5. (January 2007), pp. 671-679. by H. te Heesen, A. M. Schlitter, J. Schlitter posted by 1 person tjimenez
	Detection of pockets on protein surfaces using small and large probe spheres to find putative ligand binding sites. [My Copy] Proteins, Vol. 68, No. 2. (1 August 2007), pp. 516-529. by T. Kawabata, N. Go posted by 1 person tjimenez
	PocketDepth: a new depth based algorithm for identification of ligand binding sites in proteins. [My Copy] Journal of structural biology, Vol. 161, No. 1. (January 2008), pp. 31-42. by Y. Kalidas, N. Chandra posted by 1 person tjimenez
	PocketPicker: analysis of ligand binding-sites with shape descriptors. [My Copy] Chemistry Central journal, Vol. 1 (2007) by M. Weisel, E. Proschak, G. Schneider posted by 1 person tjimenez
	Functional annotation by sequence-weighted structure alignments: statistical analysis and case studies from the Protein 3000 structural genomics project in Japan. [My Copy] Proteins, Vol. 72, No. 4. (2 September 2008), pp. 1333-1351. by Daron M. Standley, Hiroyuki Toh, Haruki Nakamura posted by 3 people tprpip akihitokanekocrl tjimenez
	ConFunc--functional annotation in the twilight zone. [My Copy] Bioinformatics (Oxford, England), Vol. 24, No. 6. (15 March 2008), pp. 798-806. by M. N. Wass, M. J. Sternberg posted by 2 people tjimenez guhjy
	Comparisons of protein family dynamics. [My Copy] Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing (2008), pp. 426-437. by A. J. Rader, J. T. Harrell posted by 1 person tjimenez
	Exploring sequence-structure relationships in the tyrosine kinome space: functional classification of the binding specificity mechanisms for cancer therapeutics. [My Copy] Bioinformatics (Oxford, England), Vol. 23, No. 15. (1 August 2007), pp. 1919-1926. by G. M. Verkhivker posted by 1 person tjimenez
	Extraction, quantification and visualization of protein pockets. [My Copy] Computational systems bioinformatics / Life Sciences Society. Computational Systems Bioinformatics Conference, Vol. 6 (2007), pp. 275-286. by X. Zhang, C. Bajaj posted by 1 person tjimenez
	Pocket extraction on proteins via the Voronoi diagram of spheres. [My Copy] Journal of molecular graphics & modelling, Vol. 26, No. 7. (April 2008), pp. 1104-1112. by D. Kim, C. H. Cho, Y. Cho, J. Ryu, J. Bhak, D. S. Kim posted by 1 person tjimenez
	Large-scale prediction of drug-target relationships. [My Copy] FEBS letters, Vol. 582, No. 8. (9 April 2008), pp. 1283-1290. by M. Kuhn, M. Campillos, P. González, L. J. Jensen, P. Bork posted by 4 people daforerog mitko larsjuhljensen tjimenez
	Computational analysis of ligand relationships within target families [My Copy] Current Opinion in Chemical Biology, Vol. In Press, Corrected Proof by Jurgen Bajorath posted by 2 people jerome_ucsf_slb tjimenez
	Parallel screening: a novel concept in pharmacophore modeling and virtual screening. [My Copy] J Chem Inf Model, Vol. 46, No. 5. (t 2006), pp. 2146-2157. by T. M. Steindl, D. Schuster, C. Laggner, T. Langer posted by 3 people jbhonsle apostola tjimenez
	Identification of hot spots within druggable binding regions by computational solvent mapping of proteins. [My Copy] Journal of medicinal chemistry, Vol. 50, No. 6. (22 March 2007), pp. 1231-1240. by Melissa R. Landon, David R. Lancia, Jessamin Yu, Spencer C. Thiel, Sandor Vajda posted by 4 people ubcg08l bicko willpitt tjimenez
	Fast dynamics perturbation analysis for prediction of protein functional sites [My Copy] BMC Structural Biology, Vol. 8 (30 January 2008), 5. by Dengming Ming, Judith D. Cohn, Michael E. Wall posted by 2 people tjimenez higueruelo
	Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2008), NA. by Ryoichi Minai, Yo Matsuo, Hiroyuki Onuki, Hiroshi Hirota posted by 7 people reyez ramensky tjimenez massivemayhem jteyra mingzhi higueruelo
	Predicting gene ontology functions from protein's regional surface structures [My Copy] BMC Bioinformatics, Vol. 8, No. 1. (2007) by Zhi P. Liu, Ling Y. Wu, Yong Wang, Luonan Chen, Xiang S. Zhang posted by 3 people tjimenez neils carlk
	Linking Chemistry and Biology for the Study of Protein Function [My Copy] Angewandte Chemie International Edition, Vol. 46, No. 6. (2007), pp. 826-829. by Daniel Rauh, Herbert Waldmann posted by 2 people tjimenez softsimu
	Functional annotation prediction: All for one and one for all [My Copy] Protein Sci, Vol. 15, No. 6. (1 June 2006), pp. 1557-1562. by Ori Sasson, Noam Kaplan, Michal Linial posted by 2 people druvus tjimenez
	Advances in structural genomics [My Copy] Current Opinion in Structural Biology, Vol. 9, No. 3. (June 1999), pp. 390-399. by Sarah A. Teichmann, Cyrus Chothia, Mark Gerstein posted by 1 person tjimenez
	FRalanyzer: a tool for functional analysis of fold-recognition sequence-structure alignments. [My Copy] Nucleic Acids Res, Vol. 35, No. Web Server issue. (1 July 2007) by H. K. Saini, D. Fischer posted by 1 person tjimenez
	The CATH domain structure database: new protocols and classification levels give a more comprehensive resource for exploring evolution. [My Copy] Nucleic Acids Res, Vol. 35, No. Database issue. (January 2007) by L. H. Greene, T. E. Lewis, S. Addou, et al.A. Cuff, T. Dallman, M. Dibley, O. Redfern, F. Pearl, R. Nambudiry, A. Reid, I. Sillitoe, C. Yeats, J. M. Thornton, C. A. Orengo posted by 4 people References for 3DSim paper tjimenez chad_davis jlh64
	eF-seek: prediction of the functional sites of proteins by searching for similar electrostatic potential and molecular surface shape. [My Copy] Nucleic acids research, Vol. 35, No. Web Server issue. (1 July 2007) by K. Kinoshita, Y. Murakami, H. Nakamura posted by 2 people flbarroso tjimenez
	Expectations from structural genomics. [My Copy] Protein Sci, Vol. 9, No. 1. (January 2000), pp. 197-200. by S. E. Brenner, M. Levitt posted by 1 person tjimenez
	Structural Proteomics: Inferring Function from Protein Structure [My Copy] pp. 59-65. by D. L. Wild posted by 1 person tjimenez
	From protein structure to biochemical function? [My Copy] J Struct Funct Genomics, Vol. 4, No. 2-3. (2003), pp. 167-177. by R. A. Laskowski, J. D. Watson, J. M. Thornton posted by 1 person tjimenez
	Overview of structural genomics: from structure to function. [My Copy] Curr Opin Chem Biol, Vol. 7, No. 1. (February 2003), pp. 28-32. by C. Zhang, S. H. Kim posted by 1 person tjimenez
	Functional Classification of Protein Kinase Binding Sites Using Cavbase. [My Copy] ChemMedChem, Vol. 2, No. 10. (8 October 2007), pp. 1432-1447. by Daniel Kuhn, Nils Weskamp, Eyke Hüllermeier, Gerhard Klebe posted by 1 person tjimenez
	Sequence and structure classification of kinases. [My Copy] J Mol Biol, Vol. 320, No. 4. (19 July 2002), pp. 855-881. by S. Cheek, H. Zhang, N. V. Grishin posted by 1 person tjimenez
	Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors. [My Copy] J Med Chem, Vol. 49, No. 23. (16 November 2006), pp. 6802-6810. by J. H. Nettles, J. L. Jenkins, A. Bender, Z. Deng, J. W. Davies, M. Glick posted by 2 people kuhn tjimenez
	Chemogenomic approaches to rational drug design [My Copy] Br J Pharmacol, Vol. 152, No. 1. (29 May 2007), pp. 38-52. by D. Rognan posted by 8 people xdeupi jmrivort LabCompMed G-quadruplex Supramolecular jerome_ucsf_slb guhjy tjimenez
	Convergent Evolution of Enzyme Active Sites Is not a Rare Phenomenon [My Copy] Journal of Molecular Biology, Vol. 372, No. 3. (21 September 2007), pp. 817-845. by Pier F. Gherardini, Mark N. Wass, Manuela Helmer-Citterich, Michael J. Sternberg posted by 11 people ucbcjbm barry tjimenez jjray chad_davis tny shung structural_bioinformatics Bioinformatics Minty sim82
	The design and characterization of two proteins with 88% sequence identity but different structure and function [My Copy] PNAS, Vol. 104, No. 29. (17 July 2007), pp. 11963-11968. by Patrick A. Alexander, Yanan He, Yihong Chen, John Orban, Philip N. Bryan posted by 4 people tjimenez j3xucite Jporci joshuabhk
	Computational protein function prediction: Are we making progress? [My Copy] Cell Mol Life Sci (5 July 2007) by A Godzik, M Jambon, I Friedberg posted by 8 people kiekyon MarcoAlvarez sgoetz aalibes tjimenez wnpx Jporci nklee
	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
	Shape Variation in Protein Binding Pockets and their Ligands. [My Copy] J Mol Biol, Vol. 368, No. 1. (20 April 2007), pp. 283-301. by A. Kahraman, R. J. Morris, R. A. Laskowski, J. M. Thornton posted by 5 people babakap grottenolm martainn jwm tjimenez
	From structure to function: approaches and limitations. [My Copy] Nat Struct Biol, Vol. 7 Suppl (November 2000), pp. 991-994. by J. M. Thornton, A. E. Todd, D. Milburn, N. Borkakoti, C. A. Orengo posted by 3 people ucbcjbm tjimenez siebertm
	An overview of structural genomics. [My Copy] Nat Struct Biol, Vol. 7 Suppl (November 2000), pp. 932-934. by S. K. Burley posted by 2 people tjimenez siebertm
	Ultrafast shape recognition to search compound databases for similar molecular shapes. [My Copy] J Comput Chem (6 March 2007) by Pedro J J. Ballester, W Graham G. Richards posted by 6 people medic0747 operon massivemayhem ssgong kintoki tjimenez
	Growth of novel protein structural data [My Copy] Proceedings of the National Academy of Sciences, Vol. 104, No. 9. (27 February 2007), pp. 3183-3188. by Michael Levitt posted by 6 people carlosjavierna reyez viktor21614 aalibes tjimenez bicko
	QSCOPSCOP quantified by structural relationships [My Copy] Bioinformatics, Vol. 23, No. 4. (15 February 2007), pp. 513-514. by Suhrer, J. Stefan, Wiederstein, Markus, Sippl, J. Manfred posted by 1 person tjimenez
	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
	Structure of the carboxyl-terminal Src kinase, Csk. [My Copy] J Biol Chem, Vol. 277, No. 17. (26 April 2002), pp. 14351-14354. by A. Ogawa, Y. Takayama, H. Sakai, et al.K. T. Chong, S. Takeuchi, A. Nakagawa, S. Nada, M. Okada, T. Tsukihara posted by 1 person tjimenez
	Structural biology of protein tyrosine kinases. [My Copy] Cell Mol Life Sci, Vol. 63, No. 22. (November 2006), pp. 2608-2625. by S. W. Cowan-Jacob posted by 1 person tjimenez
	Kinase conformations: a computational study of the effect of ligand binding. [My Copy] Protein Sci, Vol. 6, No. 11. (November 1997), pp. 2336-2343. by V. Helms, J. A. McCammon posted by 1 person tjimenez
	Surface comparison of active and inactive protein kinases identifies a conserved activation mechanism. [My Copy] Proc Natl Acad Sci U S A, Vol. 103, No. 47. (21 November 2006), pp. 17783-17788. by A. P. Kornev, N. M. Haste, S. S. Taylor, L. F. Eyck posted by 1 person tjimenez
	Strategies toward the design of novel and selective protein tyrosine kinase inhibitors. [My Copy] Pharmacol Ther, Vol. 82, No. 2-3. (n 1999), pp. 195-206. by P. Traxler, P. Furet posted by 1 person tjimenez
	Conformational diversity of catalytic cores of protein kinases. [My Copy] Pharmacol Ther, Vol. 82, No. 2-3. (n 1999), pp. 157-164. by J. M. Sowadski, L. F. Epstein, L. Lankiewicz, R. Karlsson posted by 1 person tjimenez
	Substrate and inhibitor recognition of protein kinases: what is known about the catalytic subunit of phosphorylase kinase? [My Copy] Pharmacol Ther, Vol. 82, No. 2-3. (n 1999), pp. 143-155. by D. Graves, C. Bartleson, A. Biorn, M. Pete posted by 1 person tjimenez
	Computational identification of proteins for selectivity assays. [My Copy] Proteins, Vol. 59, No. 3. (15 May 2005), pp. 434-443. by S. Yoon, A. Smellie, D. Hartsough, A. Filikov posted by 1 person tjimenez
	Elucidation of characteristic structural features of ligand binding sites of protein kinases: a neural network approach. [My Copy] J Chem Inf Model, Vol. 46, No. 5. (t 2006), pp. 2158-2166. by T. Niwa posted by 1 person tjimenez
	Rational design of inhibitors that bind to inactive kinase conformations. [My Copy] Nat Chem Biol, Vol. 2, No. 7. (July 2006), pp. 358-364. by Y. Liu, N. S. Gray posted by 3 people GermanErlenkamp kentsis tjimenez
	Computational proteomics of biomolecular interactions in the sequence and structure space of the tyrosine kinome: Deciphering the molecular basis of the kinase inhibitors selectivity. [My Copy] Proteins (15 December 2006) by Gennady M M. Verkhivker posted by 2 people tjimenez guhjy