1267 related articles for article (PubMed ID: 19007114)
1. 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]
2. The consequences of scoring docked ligand conformations using free energy correlations.
Spyrakis F; Amadasi A; Fornabaio M; Abraham DJ; Mozzarelli A; Kellogg GE; Cozzini P
Eur J Med Chem; 2007 Jul; 42(7):921-33. PubMed ID: 17346861
[TBL] [Abstract][Full Text] [Related]
3. Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.
Cross JB; Thompson DC; Rai BK; Baber JC; Fan KY; Hu Y; Humblet C
J Chem Inf Model; 2009 Jun; 49(6):1455-74. PubMed ID: 19476350
[TBL] [Abstract][Full Text] [Related]
4. MolDock: a new technique for high-accuracy molecular docking.
Thomsen R; Christensen MH
J Med Chem; 2006 Jun; 49(11):3315-21. PubMed ID: 16722650
[TBL] [Abstract][Full Text] [Related]
5. Virtual fragment docking by Glide: a validation study on 190 protein-fragment complexes.
Sándor M; Kiss R; Keseru GM
J Chem Inf Model; 2010 Jun; 50(6):1165-72. PubMed ID: 20459088
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
Perola E; Walters WP; Charifson PS
Proteins; 2004 Aug; 56(2):235-49. PubMed ID: 15211508
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Evaluation of docking performance: comparative data on docking algorithms.
Kontoyianni M; McClellan LM; Sokol GS
J Med Chem; 2004 Jan; 47(3):558-65. PubMed ID: 14736237
[TBL] [Abstract][Full Text] [Related]
10. Comparative evaluation of eight docking tools for docking and virtual screening accuracy.
Kellenberger E; Rodrigo J; Muller P; Rognan D
Proteins; 2004 Nov; 57(2):225-42. PubMed ID: 15340911
[TBL] [Abstract][Full Text] [Related]
11. Protein-ligand docking against non-native protein conformers.
Verdonk ML; Mortenson PN; Hall RJ; Hartshorn MJ; Murray CW
J Chem Inf Model; 2008 Nov; 48(11):2214-25. PubMed ID: 18954138
[TBL] [Abstract][Full Text] [Related]
12. Efficient virtual screening using multiple protein conformations described as negative images of the ligand-binding site.
Virtanen SI; Pentikäinen OT
J Chem Inf Model; 2010 Jun; 50(6):1005-11. PubMed ID: 20504004
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. 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]
15. Prediction of multiple binding modes of the CDK2 inhibitors, anilinopyrazoles, using the automated docking programs GOLD, FlexX, and LigandFit: an evaluation of performance.
Sato H; Shewchuk LM; Tang J
J Chem Inf Model; 2006; 46(6):2552-62. PubMed ID: 17125195
[TBL] [Abstract][Full Text] [Related]
16. Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database.
Plewczynski D; Łaźniewski M; Augustyniak R; Ginalski K
J Comput Chem; 2011 Mar; 32(4):742-55. PubMed ID: 20812323
[TBL] [Abstract][Full Text] [Related]
17. Validation studies of the site-directed docking program LibDock.
Rao SN; Head MS; Kulkarni A; LaLonde JM
J Chem Inf Model; 2007; 47(6):2159-71. PubMed ID: 17985863
[TBL] [Abstract][Full Text] [Related]
18. BALLDock/SLICK: a new method for protein-carbohydrate docking.
Kerzmann A; Fuhrmann J; Kohlbacher O; Neumann D
J Chem Inf Model; 2008 Aug; 48(8):1616-25. PubMed ID: 18646839
[TBL] [Abstract][Full Text] [Related]
19. PSI-DOCK: towards highly efficient and accurate flexible ligand docking.
Pei J; Wang Q; Liu Z; Li Q; Yang K; Lai L
Proteins; 2006 Mar; 62(4):934-46. PubMed ID: 16395666
[TBL] [Abstract][Full Text] [Related]
20. Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes.
Li X; Li Y; Cheng T; Liu Z; Wang R
J Comput Chem; 2010 Aug; 31(11):2109-25. PubMed ID: 20127741
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
