583 related articles for article (PubMed ID: 18442221)
1. Homology model-based virtual screening for GPCR ligands using docking and target-biased scoring.
Radestock S; Weil T; Renner S
J Chem Inf Model; 2008 May; 48(5):1104-17. PubMed ID: 18442221
[TBL] [Abstract][Full Text] [Related]
2. Protein-based virtual screening of chemical databases. II. Are homology models of G-Protein Coupled Receptors suitable targets?
Bissantz C; Bernard P; Hibert M; Rognan D
Proteins; 2003 Jan; 50(1):5-25. PubMed ID: 12471595
[TBL] [Abstract][Full Text] [Related]
3. Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols.
Evers A; Hessler G; Matter H; Klabunde T
J Med Chem; 2005 Aug; 48(17):5448-65. PubMed ID: 16107144
[TBL] [Abstract][Full Text] [Related]
4. GPCR structure-based virtual screening approach for CB2 antagonist search.
Chen JZ; Wang J; Xie XQ
J Chem Inf Model; 2007; 47(4):1626-37. PubMed ID: 17580929
[TBL] [Abstract][Full Text] [Related]
5. Virtual screen for ligands of orphan G protein-coupled receptors.
Bock JR; Gough DA
J Chem Inf Model; 2005; 45(5):1402-14. PubMed ID: 16180917
[TBL] [Abstract][Full Text] [Related]
6. Focused library design in GPCR projects on the example of 5-HT(2c) agonists: comparison of structure-based virtual screening with ligand-based search methods.
Bissantz C; Schalon C; Guba W; Stahl M
Proteins; 2005 Dec; 61(4):938-52. PubMed ID: 16224780
[TBL] [Abstract][Full Text] [Related]
7. SeleX-CS: a new consensus scoring algorithm for hit discovery and lead optimization.
Bar-Haim S; Aharon A; Ben-Moshe T; Marantz Y; Senderowitz H
J Chem Inf Model; 2009 Mar; 49(3):623-33. PubMed ID: 19231809
[TBL] [Abstract][Full Text] [Related]
8. Consensus scoring with feature selection for structure-based virtual screening.
Teramoto R; Fukunishi H
J Chem Inf Model; 2008 Feb; 48(2):288-95. PubMed ID: 18229906
[TBL] [Abstract][Full Text] [Related]
9. Sequence-derived three-dimensional pharmacophore models for G-protein-coupled receptors and their application in virtual screening.
Klabunde T; Giegerich C; Evers A
J Med Chem; 2009 May; 52(9):2923-32. PubMed ID: 19374402
[TBL] [Abstract][Full Text] [Related]
10. Ranking targets in structure-based virtual screening of three-dimensional protein libraries: methods and problems.
Kellenberger E; Foata N; Rognan D
J Chem Inf Model; 2008 May; 48(5):1014-25. PubMed ID: 18412328
[TBL] [Abstract][Full Text] [Related]
11. An evaluation of automated in silico ligand docking of amino acid ligands to Family C G-protein coupled receptors.
Wang M; Hampson DR
Bioorg Med Chem; 2006 Mar; 14(6):2032-9. PubMed ID: 16297630
[TBL] [Abstract][Full Text] [Related]
12. Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.
de Graaf C; Oostenbrink C; Keizers PH; van der Wijst T; Jongejan A; Vermeulen NP
J Med Chem; 2006 Apr; 49(8):2417-30. PubMed ID: 16610785
[TBL] [Abstract][Full Text] [Related]
13. Discovery of novel human histamine H4 receptor ligands by large-scale structure-based virtual screening.
Kiss R; Kiss B; Könczöl A; Szalai F; Jelinek I; László V; Noszál B; Falus A; Keseru GM
J Med Chem; 2008 Jun; 51(11):3145-53. PubMed ID: 18459760
[TBL] [Abstract][Full Text] [Related]
14. Comparative assessment of scoring functions on a diverse test set.
Cheng T; Li X; Li Y; Liu Z; Wang R
J Chem Inf Model; 2009 Apr; 49(4):1079-93. PubMed ID: 19358517
[TBL] [Abstract][Full Text] [Related]
15. Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor.
Tanrikulu Y; Proschak E; Werner T; Geppert T; Todoroff N; Klenner A; Kottke T; Sander K; Schneider E; Seifert R; Stark H; Clark T; Schneider G
ChemMedChem; 2009 May; 4(5):820-7. PubMed ID: 19343764
[TBL] [Abstract][Full Text] [Related]
16. Interpretation of scoring functions using 3D molecular fields. Mapping the diacyl-hydrazine-binding pocket of an insect ecdysone receptor.
Bordas B; Belai I; Lopata A; Szanto Z
J Chem Inf Model; 2007; 47(1):176-85. PubMed ID: 17238263
[TBL] [Abstract][Full Text] [Related]
17. Scoring ligand similarity in structure-based virtual screening.
Zavodszky MI; Rohatgi A; Van Voorst JR; Yan H; Kuhn LA
J Mol Recognit; 2009; 22(4):280-92. PubMed ID: 19235177
[TBL] [Abstract][Full Text] [Related]
18. Structure-based virtual screening with supervised consensus scoring: evaluation of pose prediction and enrichment factors.
Teramoto R; Fukunishi H
J Chem Inf Model; 2008 Apr; 48(4):747-54. PubMed ID: 18318474
[TBL] [Abstract][Full Text] [Related]
19. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
Stroganov OV; Novikov FN; Stroylov VS; Kulkov V; Chilov GG
J Chem Inf Model; 2008 Dec; 48(12):2371-85. PubMed ID: 19007114
[TBL] [Abstract][Full Text] [Related]
20. Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening.
Cavasotto CN; Orry AJ; Murgolo NJ; Czarniecki MF; Kocsi SA; Hawes BE; O'Neill KA; Hine H; Burton MS; Voigt JH; Abagyan RA; Bayne ML; Monsma FJ
J Med Chem; 2008 Feb; 51(3):581-8. PubMed ID: 18198821
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
