148 related articles for article (PubMed ID: 14741014)
1. Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring.
Yoon S; Welsh WJ
J Chem Inf Comput Sci; 2004; 44(1):88-96. PubMed ID: 14741014
[TBL] [Abstract][Full Text] [Related]
2. Protein flexibility in ligand docking and virtual screening to protein kinases.
Cavasotto CN; Abagyan RA
J Mol Biol; 2004 Mar; 337(1):209-25. PubMed ID: 15001363
[TBL] [Abstract][Full Text] [Related]
3. Optimization of high throughput virtual screening by combining shape-matching and docking methods.
Lee HS; Choi J; Kufareva I; Abagyan R; Filikov A; Yang Y; Yoon S
J Chem Inf Model; 2008 Mar; 48(3):489-97. PubMed ID: 18302357
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
Huang SY; Zou X
Proteins; 2007 Feb; 66(2):399-421. PubMed ID: 17096427
[TBL] [Abstract][Full Text] [Related]
6. Supervised consensus scoring for docking and virtual screening.
Teramoto R; Fukunishi H
J Chem Inf Model; 2007; 47(2):526-34. PubMed ID: 17295466
[TBL] [Abstract][Full Text] [Related]
7. A critical assessment of docking programs and scoring functions.
Warren GL; Andrews CW; Capelli AM; Clarke B; LaLonde J; Lambert MH; Lindvall M; Nevins N; Semus SF; Senger S; Tedesco G; Wall ID; Woolven JM; Peishoff CE; Head MS
J Med Chem; 2006 Oct; 49(20):5912-31. PubMed ID: 17004707
[TBL] [Abstract][Full Text] [Related]
8. Representing receptor flexibility in ligand docking through relevant normal modes.
Cavasotto CN; Kovacs JA; Abagyan RA
J Am Chem Soc; 2005 Jul; 127(26):9632-40. PubMed ID: 15984891
[TBL] [Abstract][Full Text] [Related]
9. Investigation of MM-PBSA rescoring of docking poses.
Thompson DC; Humblet C; Joseph-McCarthy D
J Chem Inf Model; 2008 May; 48(5):1081-91. PubMed ID: 18465849
[TBL] [Abstract][Full Text] [Related]
10. Testing a flexible-receptor docking algorithm in a model binding site.
Wei BQ; Weaver LH; Ferrari AM; Matthews BW; Shoichet BK
J Mol Biol; 2004 Apr; 337(5):1161-82. PubMed ID: 15046985
[TBL] [Abstract][Full Text] [Related]
11. Considerations in compound database preparation--"hidden" impact on virtual screening results.
Knox AJ; Meegan MJ; Carta G; Lloyd DG
J Chem Inf Model; 2005; 45(6):1908-19. PubMed ID: 16309298
[TBL] [Abstract][Full Text] [Related]
12. Ensemble docking into multiple crystallographically derived protein structures: an evaluation based on the statistical analysis of enrichments.
Craig IR; Essex JW; Spiegel K
J Chem Inf Model; 2010 Apr; 50(4):511-24. PubMed ID: 20222690
[TBL] [Abstract][Full Text] [Related]
13. Virtual screening with flexible docking and COMBINE-based models. Application to a series of factor Xa inhibitors.
Murcia M; Ortiz AR
J Med Chem; 2004 Feb; 47(4):805-20. PubMed ID: 14761183
[TBL] [Abstract][Full Text] [Related]
14. Virtual screening to enrich a compound collection with CDK2 inhibitors using docking, scoring, and composite scoring models.
Cotesta S; Giordanetto F; Trosset JY; Crivori P; Kroemer RT; Stouten PF; Vulpetti A
Proteins; 2005 Sep; 60(4):629-43. PubMed ID: 16028223
[TBL] [Abstract][Full Text] [Related]
15. pyDock: electrostatics and desolvation for effective scoring of rigid-body protein-protein docking.
Cheng TM; Blundell TL; Fernandez-Recio J
Proteins; 2007 Aug; 68(2):503-15. PubMed ID: 17444519
[TBL] [Abstract][Full Text] [Related]
16. Supervised scoring models with docked ligand conformations for structure-based virtual screening.
Teramoto R; Fukunishi H
J Chem Inf Model; 2007; 47(5):1858-67. PubMed ID: 17685604
[TBL] [Abstract][Full Text] [Related]
17. Docking and scoring with alternative side-chain conformations.
Hartmann C; Antes I; Lengauer T
Proteins; 2009 Feb; 74(3):712-26. PubMed ID: 18704939
[TBL] [Abstract][Full Text] [Related]
18. Synergistic use of compound properties and docking scores in neural network modeling of CYP2D6 binding: predicting affinity and conformational sampling.
Bazeley PS; Prithivi S; Struble CA; Povinelli RJ; Sem DS
J Chem Inf Model; 2006; 46(6):2698-708. PubMed ID: 17125210
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. 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]
[Next] [New Search]
