Registrer deg | Logg på | FAQ      [?] 

Nøkkelord: docking [547 articles]

Nye artikler klassifisert med nøkkelordet docking.
  • Further development and validation of empirical scoring functions for structure-based binding affinity prediction.
    J Comput Aided Mol Des, Vol. 16, No. 1. (January 2002), pp. 11-26.
    by R Wang, L Lai, S Wang
    posted to docking docking_design by yongzhao on 2006-09-13 20:11:22 as ***** along with 1 person and 1 group BragilMassoud TSRI_MGL
  • Comparison of automated docking programs as virtual screening tools.
    J Med Chem, Vol. 48, No. 4. (24 February 2005), pp. 962-976.
    by MD Cummings, RL DesJarlais, AC Gibbs, V Mohan, EP Jaeger
    posted to docking screening by yongzhao on 2005-12-08 18:41:56 as *** along with 3 people and 3 groups BragilMassoud sangeetha kazemi Bioinformatics TSRI_MGL insilicodrug
  • Flexible ligand docking using evolutionary algorithms: investigating the effects of variation operators and local search hybrids
    Biosystems, Vol. 72, No. 1-2. (November 2003), pp. 57-73.
    by Rene Thomsen
    posted to docking ga by yongzhao on 2006-02-23 04:03:16 as *** along with 2 people and 1 group betainverse dgruiz TSRI_MGL
  • An efficient molecular docking using conformational space annealing.
    J Comput Chem, Vol. 26, No. 1. (15 January 2005), pp. 78-87.
    by K Lee, C Czaplewski, SY Kim, J Lee
    posted to docking by yongzhao on 2005-09-29 06:18:32 as ** along with 1 person and 1 group nachtalp TSRI_MGL
  • notes Progressive Docking: A Hybrid QSAR/Docking Approach for Accelerating In Silico High Throughput Screening.
    J Med Chem, Vol. 49, No. 25. (14 December 2006), pp. 7466-7478.
    by Artem Cherkasov, Fuqiang Ban, Yvonne Li, Magid Fallahi, Geoffrey L Hammond
    posted to screening qsar docking by yongzhao on 2007-01-11 19:25:04 as ** along with 1 person and 1 group BragilMassoud TSRI_MGL
  • 'Inductive' Charges on Atoms in Proteins: Comparative Docking with the Extended Steroid Benchmark Set and Discovery of a Novel SHBG Ligand.
    J Chem Inf Model, Vol. 45, No. 6. (28 November 2005), pp. 1842-1853.
    by Artem Cherkasov, Zheng Shi, Yvonne Li, Steven J Jones, Magid Fallahi, Geoffrey L Hammond
    posted to docking by yongzhao on 2005-11-30 20:55:11 as ** along with 1 group TSRI_MGL
  • Combining docking and molecular dynamic simulations in drug design.
    Med Res Rev (6 June 2006)
    by Hernán Alonso, Andrey A A Bliznyuk, Jill E E Gready
    posted to docking review by yongzhao on 2006-06-12 23:27:31 as ***** along with 3 people and 1 group LamBras aqeel kazemi TSRI_MGL
  • New and fast statistical-thermodynamic method for computation of protein-ligand binding entropy substantially improves docking accuracy
    Journal of Computational Chemistry, Vol. 26, No. 11. (2005), pp. 1089-1095.
    by AM Ruvinsky, AV Kozintsev
    posted to docking reranking by yongzhao on 2006-09-14 22:21:58 as **** along with 1 person and 1 group daevans TSRI_MGL
  • 1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors.
    Chembiochem, Vol. 6, No. 7. (July 2005), pp. 1167-1169.
    by A Brik, J Alexandratos, YC Lin, JH Elder, AJ Olson, A Wlodawer, DS Goodsell, CH Wong
    posted to docking hiv by yongzhao on 2006-01-06 17:26:33 as ** along with 1 group TSRI_MGL
  • Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy.
    J Med Chem, Vol. 47, No. 1. (1 January 2004), pp. 45-55.
    by JA Erickson, M Jalaie, DH Robertson, RA Lewis, M Vieth
    posted to docking potential_app by yongzhao on 2006-03-03 18:41:21 as ** along with 5 people and 3 groups BragilMassoud apaydin sangeetha daevans kazemi Bioinformatics TSRI_MGL insilicodrug
  • Fully flexible low-mode docking: application to induced fit in HIV integrase.
    J Am Chem Soc, Vol. 123, No. 50. (19 December 2001), pp. 12708-12709.
    by GM Keserû, I Kolossváry
    posted to docking hiv by yongzhao on 2005-11-04 15:38:37 as **** along with 1 group TSRI_MGL
  • Enhanced docking with the mining minima optimizer: Acceleration and side-chain flexibility
    Journal of Computational Chemistry, Vol. 23, No. 16. (2002), pp. 1656-1670.
    by Visvaldas Kairys, Michael K Gilson
    posted to cross_docking docking ga search by yongzhao on 2007-01-03 21:51:37 as ** along with 2 people and 1 group blackbart kazemi TSRI_MGL
  • A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening.
    J Mol Graph Model, Vol. 18, No. 3. (June 2000)
    by HB Broughton
    posted to docking flex induced_fit screening by yongzhao on 2007-01-03 21:43:02 as ** along with 2 people and 1 group kazemi LamBras TSRI_MGL
  • FLIPDock: Docking flexible ligands into flexible receptors.
    Proteins (23 May 2007)
    by Yong Zhao, Michel F F Sanner
    posted to cross_docking docking flex induced_fit rotamer_lib side_chain by yongzhao on 2007-07-27 17:59:04 as ** along with 4 people and 1 group BragilMassoud kazemi somak LamBras TSRI_MGL
  • Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring.
    J Chem Inf Comput Sci, Vol. 44, No. 1. (b 2004), pp. 88-96.
    by S Yoon, WJ Welsh
    posted to docking docking_design flex by yongzhao on 2006-05-03 22:00:20 as ** along with 1 person and 1 group dgruiz TSRI_MGL
  • Molecular docking of balanol to dynamics snapshots of protein kinase A.
    Proteins (21 October 2005)
    by Chung F F Wong, Jeremy Kua, Yingkai Zhang, T P P Straatsma, J Andrew A McCammon
    posted to docking multiple by yongzhao on 2005-10-30 23:32:31 as *** along with 1 person and 1 group simone TSRI_MGL
  • Ligand-induced conformational changes: improved predictions of ligand binding conformations and affinities.
    Biophys J, Vol. 84, No. 4. (April 2003), pp. 2273-2281.
    by TM Frimurer, GH Peters, LF Iversen, HS Andersen, NP Møller, OH Olsen
    posted to docking flex by yongzhao on 2006-05-03 21:53:58 as ** along with 3 people and 1 group dgruiz blackbart kazemi TSRI_MGL
  • A new test set for validating predictions of protein-ligand interaction.
    Proteins, Vol. 49, No. 4. (1 December 2002), pp. 457-471.
    by JW Nissink, C Murray, M Hartshorn, ML Verdonk, JC Cole, R Taylor
    posted to docking potential_app by yongzhao on 2006-06-08 20:25:24 as ** along with 3 people and 1 group BragilMassoud blackbart ramensky TSRI_MGL
  • MolDock: A New Technique for High-Accuracy Molecular Docking.
    J Med Chem, Vol. 49, No. 11. (1 June 2006), pp. 3315-3321.
    by R Thomsen, MH Christensen
    posted to docking docking_design by yongzhao on 2006-06-08 20:23:37 as ** along with 1 person and 1 group BragilMassoud TSRI_MGL
  • Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
    Journal of Computational Chemistry, Vol. 19, No. 14. (6 January 1999), pp. 1639-1662.
    by Garrett M Morris, David S Goodsell, Robert S Halliday, Ruth Huey, William E Hart, Richard K Belew, Arthur J Olson
    posted to docking by yongzhao on 2005-10-25 21:31:16 as ***** along with 13 people and 1 group UVA_mag_res simone andreramme LamBras dgruiz nachtalp P2324548 peprovy tovrstra papatonyhill schlauchi carlescorbi middledomain TSRI_MGL
  • HIV-reverse transcriptase inhibition: inclusion of ligand-induced fit by cross-docking studies.
    J Med Chem, Vol. 48, No. 1. (13 January 2005), pp. 200-212.
    by R Ragno, S Frasca, F Manetti, A Brizzi, S Massa
    posted to cross_docking docking by yongzhao on 2005-10-20 22:09:00 as **** along with 1 group TSRI_MGL
  • Effective handling of induced-fit motion in flexible docking.
    Proteins (10 March 2006)
    by Miho Yamada Y Mizutani, Yoshihiro Takamatsu, Tazuko Ichinose, Kensuke Nakamura, Akiko Itai
    posted to docking docking_design induced_fit by yongzhao on 2006-03-21 18:17:40 as ***** along with 2 people and 1 group BragilMassoud kazemi TSRI_MGL
  • Receptor flexibility in de novo ligand design and docking.
    J Med Chem, Vol. 48, No. 21. (20 October 2005), pp. 6585-6596.
    by IL Alberts, NP Todorov, PM Dean
    posted to docking flex side_chain by yongzhao on 2005-10-16 22:24:14 as **** along with 5 people and 1 group BragilMassoud dgruiz apaydin kazemi npt11tpn TSRI_MGL
  • Representing receptor flexibility in ligand docking through relevant normal modes.
    J Am Chem Soc, Vol. 127, No. 26. (6 July 2005), pp. 9632-9640.
    by CN Cavasotto, JA Kovacs, RA Abagyan
    posted to docking normal_mode_analysis by yongzhao on 2005-09-23 23:30:17 as ** along with 6 people and 3 groups BragilMassoud apaydin barry aqeel kazemi LamBras structural_bioinformatics Bioinformatics TSRI_MGL
  • Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming.
    Chem Biol, Vol. 2, No. 5. (May 1995), pp. 317-324.
    by DK Gehlhaar, GM Verkhivker, PA Rejto, CJ Sherman, DB Fogel, LJ Fogel, ST Freer
    posted to docking score by yongzhao on 2006-06-22 02:36:19 as ** along with 1 group TSRI_MGL
  • Efficient docking of peptides to proteins without prior knowledge of the binding site.
    Protein Sci, Vol. 11, No. 7. (July 2002), pp. 1729-1737.
    by C Hetényi, D van der Spoel
    posted to docking docking_design by yongzhao on 2005-12-12 23:02:44 as **** along with 1 person and 1 group rguenther TSRI_MGL
  • Evaluation of docking performance: comparative data on docking algorithms.
    J Med Chem, Vol. 47, No. 3. (29 January 2004), pp. 558-565.
    by M Kontoyianni, LM McClellan, GS Sokol
    posted to docking docking_design potential_app by yongzhao on 2006-02-23 21:56:40 as ** along with 4 people and 5 groups marcius sangeetha insilico schuwi Bioinformatics TSRI_MGL insilicodrug BioinfoCIPF SGU-CIPF
  • notes Induced Fit in Mouse Acetylcholinesterase upon Binding a Femtomolar Inhibitor: A Molecular Dynamics Study.
    J Med Chem, Vol. 48, No. 26. (29 December 2005), pp. 8155-8162.
    by Sanjib Senapati, Jennifer M Bui, J A McCammon
    posted to docking induced_fit by yongzhao on 2005-12-28 23:54:37 as *** along with 1 group TSRI_MGL
  • SODOCK: Swarm optimization for highly flexible protein-ligand docking.
    J Comput Chem, Vol. 28, No. 2. (30 January 2007), pp. 612-623.
    by HM Chen, BF Liu, HL Huang, SF Hwang, SY Ho
    posted to search docking_design docking by yongzhao on 2007-01-09 23:05:52 as *** along with 2 people and 1 group BragilMassoud dgruiz TSRI_MGL
  • Benchmarking Sets for Molecular Docking
    J. Med. Chem. (26 October 2006)
    by N Huang, BK Shoichet, JJ Irwin
    posted to docking docking_design library potential_app by yongzhao on 2006-10-26 18:11:12 as ** along with 2 people and 1 group BragilMassoud daevans TSRI_MGL
  • Active site binding modes of HIV-1 integrase inhibitors.
    J Med Chem, Vol. 43, No. 22. (2 November 2000), pp. 4109-4117.
    by CA Sotriffer, H Ni, JA McCammon
    posted to docking hiv by yongzhao on 2005-11-08 01:21:55 as **** along with 1 group TSRI_MGL
  • Flexible protein-protein docking
    Current Opinion in Structural Biology, Vol. 16, No. 2. (April 2006), pp. 194-200.
    by Alexandre MJJ Bonvin
    posted to docking flex by yongzhao on 2006-05-03 00:40:08 as ***** along with 7 people and 3 groups higueruelo dgruiz aqeel bicko ima sangeetha gloria Bioinformatics TSRI_MGL insilicodrug
  • A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
    Proteins, Vol. 56, No. 2. (1 August 2004), pp. 235-249.
    by E Perola, WP Walters, PS Charifson
    posted to docking score by yongzhao on 2006-10-30 22:59:14 as ** along with 3 people and 3 groups BragilMassoud marcius schlauchi TSRI_MGL BioinfoCIPF SGU-CIPF
  • Recent Advances in Docking and Scoring
    Current Computer - Aided Drug Design, Vol. 1, No. 1. (January 2005), pp. 93-102.
    by EM Krovat, T Steindl, T Langer
    posted to docking docking_design review score by yongzhao on 2006-10-30 22:38:36 as **** along with 2 people and 1 group kazemi pmalatino TSRI_MGL
  • Improving binding mode predictions by docking into protein-specifically adapted potential fields.
    J Med Chem, Vol. 48, No. 17. (25 August 2005), pp. 5466-5479.
    by S Radestock, M Böhm, H Gohlke
    posted to docking potential_app by yongzhao on 2006-09-08 01:51:42 as **** along with 3 people and 1 group BragilMassoud kazemi naitsabes TSRI_MGL
  • Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects.
    J Med Chem, Vol. 49, No. 2. (26 January 2006), pp. 534-553.
    by Woody Sherman, Tyler Day, Matthew P Jacobson, Richard A Friesner, Ramy Farid
    posted to docking induced_fit by yongzhao on 2006-01-25 02:32:42 as **** along with 3 people and 1 group BragilMassoud daevans kazemi TSRI_MGL
  • Protein-ligand docking: Current status and future challenges.
    Proteins (21 July 2006)
    by Sérgio Filipe F Sousa, Pedro Alexandrino A Fernandes, Maria João J Ramos
    posted to autodock docking by yongzhao on 2006-11-07 19:07:30 as ** along with 8 people and 2 groups qaiser_fatmi boris_aguilar robert BragilMassoud peprovy kazemi sergio_fms carlescorbi group TSRI_MGL
  • HADDOCK: a protein-protein docking approach based on biochemical or biophysical information.
    J Am Chem Soc, Vol. 125, No. 7. (19 February 2003), pp. 1731-1737.
    by C Dominguez, R Boelens, AM Bonvin
    posted to docking haddock protein-protein by yalexeev on 2008-02-01 11:09:14 as ** along with 6 people betainverse dgruiz bicko bluvsh1 gloria ruvido
  • Docking and scoring protein complexes: CAPRI 3rd Edition
    Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA.
    by Marc F Lensink, Raúl Méndez, Shoshana J Wodak
    posted to docking protein-protein by yalexeev on 2008-02-01 11:06:58 as ** along with 7 people timg bicko chad_davis ruvido cjeans carlescorbi middledomain
  • ZDOCK predictions for the CAPRI challenge.
    Proteins, Vol. 52, No. 1. (1 July 2003), pp. 68-73.
    by R Chen, W Tong, J Mintseris, L Li, Z Weng
    posted to docking protein-protein zdock by yalexeev on 2008-02-01 11:01:52 as ** along with 1 person ffranca
  • Mechanisms of Inter- and Intramolecular Communication in GPCRs and G Proteins
    J. Am. Chem. Soc. (12 March 2008)
    by F Raimondi, M Seeber, PG Debenedetti, F Fanelli
    posted to gproteins gpcr docking activation by xdeupi on 2008-05-03 17:09:50 as ** along with 1 person paulschlesinger
  • notes Protein-Protein Docking with Backbone Flexibility
    Journal of Molecular Biology, Vol. 373, No. 2. (19 October 2007), pp. 503-519.
    by Chu Wang, Philip Bradley, David Baker
    posted to docking flexibility modeling theory by xdeupi on 2008-04-07 14:23:45 as ** along with 3 people and 2 groups barry jwm Ema structural_bioinformatics Bioinformatics
  • notes Protein-Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations
    Journal of Molecular Biology, Vol. 331, No. 1. (1 August 2003), pp. 281-299.
    by Jeffrey J Gray, Stewart Moughon, Chu Wang, Ora Schueler-Furman, Brian Kuhlman, Carol A Rohl, David Baker
    posted to dimer docking modeling theory by xdeupi on 2008-04-07 14:18:56 as ** along with 4 people timg ima bluvsh1 selrac
  • Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior of Selected Scoring Functions.
    J Chem Inf Model, Vol. 45, No. 4. (25 July 2005), pp. 1061-1074.
    by Chidochangu P Mpamhanga, Beining Chen, Iain M McLay, Daniel L Ormsby, Mika K Lindvall
    posted to docking scoring by vavi on 2005-08-01 08:16:44 as **
  • Flexible docking and design.
    Annu Rev Biophys Biomol Struct, Vol. 24 (1995), pp. 677-700.
    by R Rosenfeld, S Vajda, C DeLisi
    posted to docking protein review by vavi on 2005-08-29 16:17:21 as **
  • notes Docking protein domains in contact space
    BMC Bioinformatics, Vol. 7, No. 1. (21 June 2006), 310.
    by Stefano Lise, Alice Walker-Taylor, David T Jones
    posted to contact_maps_use docking by vavi on 2006-07-25 10:21:34 as ** along with 4 people bicko chad_davis choonpeng martainn
  • Geometry-based flexible and symmetric protein docking.
    Proteins, Vol. 60, No. 2. (1 August 2005), pp. 224-231.
    by D Schneidman-Duhovny, Y Inbar, R Nussinov, HJ Wolfson
    posted to docking flexdock protein by vavi on 2006-09-13 09:06:46 as ** along with 2 people and 2 groups bicko marcius BioinfoCIPF SGU-CIPF
  • The Relationship between the Flexibility of Proteins and their Conformational States on Forming Protein-Protein Complexes with an Application to Protein-Protein Docking
    Journal of Molecular Biology, Vol. 347, No. 5. (15 April 2005), pp. 1077-1101.
    by Graham R Smith, Michael Sternberg, Paul A Bates
    posted to docking flexibility by ttjoseph on 2005-09-19 21:06:02 as **** along with 6 people and 3 groups jteyra ana barry aqeel bicko yongzhao structural_bioinformatics Bioinformatics TSRI_MGL
  • Molecular recognition and docking algorithms.
    Annu Rev Biophys Biomol Struct, Vol. 32 (2003), pp. 335-373.
    by N Brooijmans, ID Kuntz
    posted to docking by ttjoseph on 2005-12-03 21:32:50 as *** along with 6 people and 3 groups BragilMassoud yongzhao sangeetha blackbart kazemi massivemayhem Bioinformatics TSRI_MGL insilicodrug
  • Principles of docking: An overview of search algorithms and a guide to scoring functions.
    Proteins, Vol. 47, No. 4. (1 June 2002), pp. 409-443.
    by I Halperin, B Ma, H Wolfson, R Nussinov
    posted to docking by ttjoseph on 2005-12-03 21:31:24 as ** along with 19 people and 3 groups nigham dgruiz cantupaz apaydin bicko chad_davis yongzhao nickolay ima sangeetha dgront blackbart gane5h mmuecke kazemi bpagano massivemayhem cjeans Evangelia Bioinformatics TSRI_MGL insilicodrug
    • NB: Du kan sitere denne siden som: http://www.citeulike.org/tag/docking

    Result page: 1 2 3 4 5 6 7 8 9 10 Next RIS BibTeX
    CiteULike organises scholarly (or academic) papers or literature and provides bibliographic (which means it makes bibliographies) for universities and higher education establishments. It helps undergraduates and postgraduates. People studying for PhDs or in postdoctoral (postdoc) positions. The service is similar in scope to EndNote or RefWorks or any other reference manager like BibTeX, but it is a social bookmarking service for scientists and humanities researchers.