Tag docking [at least 200 articles]

Recent papers classified by the tag docking.

	Blind docking of pharmaceutically relevant compounds using RosettaLigand. [My Copy] Protein science : a publication of the Protein Society (24 June 2009) by Ian W. Davis, Kaushik Raha, Martha S. Head, David Baker posted to ligand-protein-binding docking by apaydin on 2009-07-04 08:48:01 as
	Pharmacophore-Based Discovery of Small-Molecule Inhibitors of Protein-Protein Interactions between HIV-1 Integrase and Cellular Cofactor LEDGF/p75. [My Copy] ChemMedChem (29 June 2009) by Laura De Luca, Maria Letizia L. Barreca, Stefania Ferro, et al.Frauke Christ, Nunzio Iraci, Rosaria Gitto, Anna Maria M. Monforte, Zeger Debyser, Alba Chimirri posted to xf sm ppi p75 ledgf hiv docking 2009 by higueruelo on 2009-07-03 11:50:54 as
	Flaviviral Protease Inhibitors Identified by Fragment-Based Library Docking into a Structure Generated by Molecular Dynamics [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Dariusz Ekonomiuk, Xun-Cheng Su, Kiyoshi Ozawa, et al.Christophe Bodenreider, Siew P. Lim, Gottfried Otting, Danzhi Huang, Amedeo Caflisch posted to fbdd docking by npt11tpn on 2009-07-02 19:05:58 as
	PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results [My Copy] Journal of Computer-Aided Molecular Design, Vol. 20, No. 10. (1 October 2006), pp. 647-671. by Steven Dixon, Alexander Smondyrev, Eric Knoll, Shashidhar Rao, David Shaw, Richard Friesner posted to docking by dragonrez on 2009-07-02 17:06:33 as along with 1 person daevans
	Coevolution at protein complex interfaces can be detected by the complementarity trace with important impact for predictive docking [My Copy] Proceedings of the National Academy of Sciences, Vol. 105, No. 22. (3 June 2008), pp. 7708-7713. by Hocine Madaoui, Raphaël Guerois posted to protein mutation interface interaction docking correlation contact complementarity coevolution by robfsouza on 2009-07-01 21:08:19 as along with 6 people RebeccaHamer orr cabbagesofdoom phoenixzxl bicko zwang
	Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms. [My Copy] BMC bioinformatics, Vol. 8 (25 August 2007), 310. by L. A. Diago, P. Morell, L. Aguilera, E. Moreno posted to ligand docking by mijogiffin on 2009-06-30 03:06:47 as along with 3 people flbarroso mdimmic massivemayhem
	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 to review protein-ligand docking 2002 by klexa on 2009-06-29 15:53:47 as along with 6 people and 5 groups csrocha oteri marcius sangeetha schlauchi massivemayhem Structural Biology Group TorVergata Bioinformatics insilicodrug BioinfoCIPF SGU-CIPF
	Steps towards flexible docking: modeling of three-dimensional structures of the nuclear receptors bound with peptide ligands mimicking co-activators' sequences. [My Copy] J Steroid Biochem Mol Biol, Vol. 103, No. 3-5. (March 2007), pp. 357-360. by M. Kurcinski, A. Kolinski posted to structural_model protein-ligand flexibility docking 2007 by klexa on 2009-06-29 15:32:35 as along with 2 people and 1 group oteri mkurc Structural Biology Group TorVergata
	AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2009), NA. by Oleg Trott, Arthur J. Olson posted to scoring multithreading docking autodock-vina autodock 2009 by klexa on 2009-06-29 15:28:27 as along with 2 people and 1 group oteri sobolevnrm Structural Biology Group TorVergata
	Elastic Potential Grids: Accurate and Efficient Representation of Intermolecular Interactions for Fully Flexible Docking. [My Copy] ChemMedChem (9 June 2009) by Sina Kazemi, Dennis M. Krüger, Finton Sirockin, Holger Gohlke posted to flexibility docking 2009 by higueruelo on 2009-06-29 14:09:23 as
	On proteins, grids, correlations, and docking. [My Copy] C R Biol, Vol. 327, No. 5. (May 2004), pp. 409-420. by M. Eisenstein, E. Katchalski-Katzir posted to docking by flbarroso on 2009-06-28 00:14:35 as along with 1 person bicko
	Prediction and scoring of docking poses with pyDock. [My Copy] Proteins, Vol. 69, No. 4. (1 December 2007), pp. 852-858. by S. Grosdidier, C. Pons, A. Solernou, J. Fernández-Recio posted to prediction docking bioinformatics by flbarroso on 2009-06-28 00:14:21 as
	pyDock: electrostatics and desolvation for effective scoring of rigid-body protein-protein docking. [My Copy] Proteins, Vol. 68, No. 2. (1 August 2007), pp. 503-515. by T. Man-Kuang Cheng, T. L. Blundell, J. Fernandez-Recio posted to solvation protein-protein electrostatics docking by flbarroso on 2009-06-28 00:13:46 as along with 2 people bicko selrac
	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 to protein-protein docking by flbarroso on 2009-06-28 00:13:12 as along with 10 people and 3 groups oteri laurabailey dgruiz aqeel bicko yongzhao ima sangeetha gloria higueruelo Bioinformatics TSRI_MGL insilicodrug
	RosettaDock in CAPRI rounds 6-12. [My Copy] Proteins (1 August 2007) by Chu Wang, Ora Schueler-Furman, Ingemar Andre, et al.Nir London, Sarel J J. Fleishman, Philip Bradley, Bin Qian, David Baker posted to protein-protein docking by flbarroso on 2009-06-28 00:12:55 as along with 1 person bicko
	High-resolution 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. 183-193. by Jeffrey J. Gray posted to protein-protein docking by flbarroso on 2009-06-28 00:12:29 as along with 7 people aqeel jwm ima bluvsh1 ruvido cjeans higueruelo
	The consequences of scoring docked ligand conformations using free energy correlations. [My Copy] European journal of medicinal chemistry, Vol. 42, No. 7. (July 2007), pp. 921-933. by F. Spyrakis, A. Amadasi, M. Fornabaio, et al.D. J. Abraham, A. Mozzarelli, G. E. Kellogg, P. Cozzini posted to free_energy docking by flbarroso on 2009-06-28 00:11:38 as
	Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach. [My Copy] Journal of molecular graphics & modelling, Vol. 20, No. 3. (2001), pp. 199-218. by Y. Z. Chen, C. Y. Ung posted to docking by flbarroso on 2009-06-28 00:10:35 as
	Efficient Restraints for Protein-Protein Docking by Comparison of Observed Amino Acid Substitution Patterns with those Predicted from Local Environment [My Copy] Journal of Molecular Biology, Vol. 357, No. 5. (14 April 2006), pp. 1669-1682. by Vijayalakshmi Chelliah, Tom L. Blundell, Juan Fernandez-Recio posted to docking by flbarroso on 2009-06-28 00:09:34 as along with 4 people bicko ima drastic cjeans
	Recent progress and future directions in protein-protein docking. [My Copy] Current protein & peptide science, Vol. 9, No. 1. (February 2008), pp. 1-15. by D. W. Ritchie posted to protein-protein docking by flbarroso on 2009-06-28 00:09:10 as along with 1 person and 1 group oteri Structural Biology Group TorVergata
	The performance of ZDOCK and ZRANK in rounds 6-11 of CAPRI. [My Copy] Proteins, Vol. 69, No. 4. (1 December 2007), pp. 719-725. by K. Wiehe, B. Pierce, W. W. Tong, H. Hwang, J. Mintseris, Z. Weng posted to docking by flbarroso on 2009-06-28 00:08:56 as
	Docking and scoring protein complexes: CAPRI 3rd Edition [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA. by Marc F. Lensink, Raúl Méndez, Shoshana J. Wodak posted to docking by flbarroso on 2009-06-28 00:08:29 as along with 8 people and 1 group csrocha bicko ruvido cjeans carlescorbi yalexeev middledomain timg structural_bioinformatics
	Flexible ligand-flexible protein docking in protein kinase systems [My Copy] Biochimica et Biophysica Acta (BBA) - Proteins & Proteomics In Inhibitors of Protein Kinases (5th International Conference, IPK-2007) and Workshop Session on Molecular Design and Simulation Methods (Warsaw, Poland, June 23-27, 2007), Vol. 1784, No. 1. (January 2008), pp. 244-251. by Chung F. Wong posted to docking by flbarroso on 2009-06-28 00:08:11 as along with 1 person and 1 group sobolevnrm baker-group
	Improving CAPRI predictions: optimized desolvation for rigid-body docking. [My Copy] Proteins, Vol. 60, No. 2. (1 August 2005), pp. 308-313. by J. Fernández-Recio, R. Abagyan, M. Totrov posted to docking by flbarroso on 2009-06-28 00:07:58 as
	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 I. Halperin, B. Ma, H. Wolfson, R. Nussinov posted to docking by flbarroso on 2009-06-28 00:07:32 as along with 23 people and 4 groups csrocha oteri timg dgruiz cantupaz apaydin bicko chad_davis yongzhao ttjoseph nickolay ima sangeetha dgront blackbart gane5h mmuecke kazemi bpagano massivemayhem cjeans Evangelia nigham Structural Biology Group TorVergata Bioinformatics TSRI_MGL insilicodrug
	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 to docking by flbarroso on 2009-06-28 00:07:16 as along with 7 people and 3 groups BragilMassoud yongzhao ttjoseph sangeetha blackbart kazemi massivemayhem Bioinformatics TSRI_MGL insilicodrug
	Docking and scoring--theoretically easy, practically impossible? [My Copy] Current medicinal chemistry, Vol. 13, No. 25. (2006), pp. 2995-3003. by B. Coupez, R. A. Lewis posted to docking by flbarroso on 2009-06-28 00:06:54 as
	Lead Finder: An Approach To Improve Accuracy of Protein-Ligand Docking, Binding Energy Estimation, and Virtual Screening. [My Copy] Journal of chemical information and modeling (13 November 2008) by Oleg V. Stroganov, Fedor N. Novikov, Viktor S. Stroylov, Val Kulkov, Ghermes G. Chilov posted to docking binding by flbarroso on 2009-06-28 00:05:44 as along with 1 person oteri
	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 to docking by flbarroso on 2009-06-28 00:04:33 as along with 9 people and 3 groups oteri BragilMassoud dgruiz yongzhao sangeetha anwazo daevans kazemi LamBras Bioinformatics TSRI_MGL insilicodrug
	Combining docking and molecular dynamic simulations in drug design. [My Copy] Med Res Rev (6 June 2006) by Hernán Alonso, Andrey A A. Bliznyuk, Jill E E. Gready posted to md drug-design docking by flbarroso on 2009-06-28 00:04:18 as along with 7 people and 2 groups hryk oteri A_Coletta_Thesis aqeel yongzhao kazemi LamBras Structural Biology Group TorVergata TSRI_MGL
	TarFisDock: a web server for identifying drug targets with docking approach. [My Copy] Nucleic acids research, Vol. 34, No. Web Server issue. (1 July 2006) by H. Li, Z. Gao, L. Kang, et al.H. Zhang, K. Yang, K. Yu, X. Luo, W. Zhu, K. Chen, J. Shen, X. Wang, H. Jiang posted to docking bioinformatics by flbarroso on 2009-06-28 00:02:46 as
	Diverse, high-quality test set for the validation of protein-ligand docking performance. [My Copy] J Med Chem, Vol. 50, No. 4. (22 February 2007), pp. 726-741. by M. J. Hartshorn, M. L. Verdonk, G. Chessari, et al.S. C. Brewerton, W. T. Mooij, P. N. Mortenson, C. W. Murray posted to docking by flbarroso on 2009-06-28 00:01:34 as along with 9 people GermanErlenkamp massivemayhem higueruelo BragilMassoud daevans ramensky hmk superpyrin thanatos
	D<FONT SIZE='-2'>OCKGROUND</FONT> system of databases for protein recognition studies: Unbound structures for docking [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA. by Ying Gao, Dominique Douguet, Andrey Tovchigrechko, Ilya A. Vakser posted to docking database by flbarroso on 2009-06-28 00:01:16 as along with 5 people marti bicko chad_davis RamuAnandakrishnan timg
	Accounting for global protein deformability during protein-protein and protein-ligand docking. [My Copy] Biochim Biophys Acta (5 October 2005) by Andreas May, Martin Zacharias posted to protein-protein docking by flbarroso on 2009-06-28 00:00:25 as along with 3 people and 1 group yongzhao alexg qzhang TSRI_MGL
	Protein-ligand docking: Current status and future challenges. [My Copy] Proteins (21 July 2006) by Sérgio Filipe F. Sousa, Pedro Alexandrino A. Fernandes, Maria João J. Ramos posted to docking by flbarroso on 2009-06-27 23:59:51 as along with 10 people and 2 groups ramensky BragilMassoud yongzhao peprovy kazemi sergio_fms carlescorbi robert boris_aguilar qaiser_fatmi TSRI_MGL group
	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 to docking by flbarroso on 2009-06-27 23:59:24 as along with 8 people and 3 groups BragilMassoud dgruiz thaliana yongzhao sangeetha kzfm peprovy carlescorbi Bioinformatics TSRI_MGL insilicodrug
	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 to docking binding by flbarroso on 2009-06-27 23:58:43 as along with 3 people richardbickerton higueruelo massivemayhem
	Lead optimization via high-throughput molecular docking. [My Copy] Curr Opin Drug Discov Devel, Vol. 10, No. 3. (May 2007), pp. 264-274. by D. Joseph-McCarthy, J. C. Baber, E. Feyfant, D. C. Thompson, C. Humblet posted to docking by flbarroso on 2009-06-27 23:53:26 as along with 1 person superpyrin
	Ligand-protein docking: cancer research at the interface between biology and chemistry. [My Copy] Current medicinal chemistry, Vol. 10, No. 9. (May 2003), pp. 763-767. by R. C. Glen, S. C. Allen posted to drug-design docking cancer by flbarroso on 2009-06-27 23:52:14 as
	Lead discovery using molecular docking. [My Copy] Curr Opin Chem Biol, Vol. 6, No. 4. (August 2002), pp. 439-446. by B. K. Shoichet, S. L. McGovern, B. Wei, J. J. Irwin posted to drug-design docking by flbarroso on 2009-06-27 23:51:46 as along with 4 people and 2 groups apaydin marcius blackbart massivemayhem BioinfoCIPF SGU-CIPF
	Ligand docking and structure-based virtual screening in drug discovery. [My Copy] Current topics in medicinal chemistry, Vol. 7, No. 10. (2007), pp. 1006-1014. by C. N. Cavasotto, A. J. Orry posted to drug-design docking by flbarroso on 2009-06-27 23:45:15 as
	Discovery of novel inhibitors of Streptococcus pneumoniae based on the virtual screening with the homology-modeled structure of histidine kinase (VicK) [My Copy] BMC Microbiology, Vol. 9, No. 1. (2009), 129. by Nan Li, Fei Wang, Siqiang Niu, et al.Ju Cao, Kaifeng Wu, Youqiang Li, Nanlin Yin, Xuemei Zhang, Weiliang Zhu, Yibing Yin posted to drug-target drug-discovery drug-designing docking by kshameer on 2009-06-27 16:51:53 as
	Novel GSK-3[beta] inhibitors from sequential virtual screening [My Copy] Bioorganic & Medicinal Chemistry, Vol. 16, No. 2. (15 January 2008), pp. 636-643. by Hye-Jung Kim, Hyunah Choo, Yong S. Cho, Kyoung T. No, Ae N. Pae posted to example docking by npt11tpn on 2009-06-25 07:40:44 as along with 1 person daevans
	A computational system for modelling flexible protein-protein and protein-DNA docking. [My Copy] Proceedings / ... International Conference on Intelligent Systems for Molecular Biology ; ISMB. International Conference on Intelligent Systems for Molecular Biology, Vol. 6 (1998), pp. 183-192. by M. J. Sternberg, P. Aloy, H. A. Gabb, et al.R. M. Jackson, G. Moont, E. Querol, F. X. Aviles posted to structure protein-protein protein-dna prediction interaction docking dna-binding by HawkinsJohnC on 2009-06-24 15:19:22 as
	Information-driven protein-DNA docking using HADDOCK: it is a matter of flexibility [My Copy] Nucl. Acids Res., Vol. 34, No. 11. (4 July 2006), pp. 3317-3325. by Marc van Dijk, Aalt D. van Dijk, Victor Hsu, Rolf Boelens, Alexandre M. Bonvin posted to protein prediction docking dna-binding by HawkinsJohnC on 2009-06-24 14:53:33 as along with 1 person oteri
	Elucidating Molecular Overlays from Pairwise Alignments Using a Genetic Algorithm [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Gareth Jones, Yinghong Gao, Carleton R. Sage posted to molecule docking by ima on 2009-06-22 05:48:53 as along with 2 people reyez npt11tpn
	Modeling of metal interaction geometries for protein-ligand docking [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA. by Birte Seebeck, Ingo Reulecke, Andreas Kämper, Matthias Rarey posted to metal flexx energy_functions docking by BragilMassoud on 2009-06-20 12:59:37 as along with 2 people and 2 groups arlam sobolevnrm group baker-group
	Conformational energy penalties of protein-bound ligands [My Copy] Journal of Computer-Aided Molecular Design, Vol. 12, No. 4. (1 July 1998), pp. 383-383. by Jonas Boström, Per-Ola Norrby, Tommy Liljefors posted to protein_structure docking conformation by JALumley on 2009-06-18 10:51:15 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 protein_structure interaction_analysis docking conformation by JALumley on 2009-06-18 10:44:10 as along with 7 people ubcg08l BragilMassoud apaydin kuhn bilab grottenolm thanatos
	Sorting in early endosomes reveals connections to docking- and fusion-associated factors [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 24. (16 June 2009), pp. 9697-9702. by Sina V. Barysch, Shweta Aggarwal, Reinhard Jahn, Silvio O. Rizzoli posted to sorting fusion endosome docking barysch09pdf by paulschlesinger on 2009-06-17 21:22:22 as

Note: You may cite this page as: http://www.citeulike.org/tag/docking

Result page: 1 2 3 4 5 6 7 8 9 10 Next

RIS BibTeX RTF/PDF

Tag docking [at least 200 articles]

Tag selected articles

Related Tags