323 related articles for article (PubMed ID: 16784462)
1. PHASE: a novel approach to pharmacophore modeling and 3D database searching.
Dixon SL; Smondyrev AM; Rao SN
Chem Biol Drug Des; 2006 May; 67(5):370-2. PubMed ID: 16784462
[No Abstract] [Full Text] [Related]
2. Modeling of p38 mitogen-activated protein kinase inhibitors using the Catalyst HypoGen and k-nearest neighbor QSAR methods.
Xiao Z; Varma S; Xiao YD; Tropsha A
J Mol Graph Model; 2004 Oct; 23(2):129-38. PubMed ID: 15363455
[TBL] [Abstract][Full Text] [Related]
3. Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors.
Nettles JH; Jenkins JL; Bender A; Deng Z; Davies JW; Glick M
J Med Chem; 2006 Nov; 49(23):6802-10. PubMed ID: 17154510
[TBL] [Abstract][Full Text] [Related]
4. Molecular modeling studies of phenoxypyrimidinyl imidazoles as p38 kinase inhibitors using QSAR and docking.
Ravindra GK; Achaiah G; Sastry GN
Eur J Med Chem; 2008 Apr; 43(4):830-8. PubMed ID: 17706839
[TBL] [Abstract][Full Text] [Related]
5. Virtual high-throughput screening of molecular databases.
Seifert MH; Kraus J; Kramer B
Curr Opin Drug Discov Devel; 2007 May; 10(3):298-307. PubMed ID: 17554856
[TBL] [Abstract][Full Text] [Related]
6. Combining protein modeling and 6D-QSAR. Simulating the binding of structurally diverse ligands to the estrogen receptor.
Vedani A; Dobler M; Lill MA
J Med Chem; 2005 Jun; 48(11):3700-3. PubMed ID: 15916421
[TBL] [Abstract][Full Text] [Related]
7. Novel approach to predicting P450-mediated drug metabolism: development of a combined protein and pharmacophore model for CYP2D6.
de Groot MJ; Ackland MJ; Horne VA; Alex AA; Jones BC
J Med Chem; 1999 May; 42(9):1515-24. PubMed ID: 10229622
[TBL] [Abstract][Full Text] [Related]
8. Insights into ligand-elicited activation of human constitutive androstane receptor based on novel agonists and three-dimensional quantitative structure-activity relationship.
Jyrkkärinne J; Windshügel B; Rönkkö T; Tervo AJ; Küblbeck J; Lahtela-Kakkonen M; Sippl W; Poso A; Honkakoski P
J Med Chem; 2008 Nov; 51(22):7181-92. PubMed ID: 18983136
[TBL] [Abstract][Full Text] [Related]
9. Quo vadis, virtual screening? A comprehensive survey of prospective applications.
Ripphausen P; Nisius B; Peltason L; Bajorath J
J Med Chem; 2010 Dec; 53(24):8461-7. PubMed ID: 20929257
[No Abstract] [Full Text] [Related]
10. Virtual screening for R-groups, including predicted pIC50 contributions, within large structural databases, using Topomer CoMFA.
Cramer RD; Cruz P; Stahl G; Curtiss WC; Campbell B; Masek BB; Soltanshahi F
J Chem Inf Model; 2008 Nov; 48(11):2180-95. PubMed ID: 18956863
[TBL] [Abstract][Full Text] [Related]
11. Pharmacophore modeling and in silico screening for new KDR kinase inhibitors.
Yu H; Wang Z; Zhang L; Zhang J; Huang Q
Bioorg Med Chem Lett; 2007 Apr; 17(8):2126-33. PubMed ID: 17306530
[TBL] [Abstract][Full Text] [Related]
12. Evaluating the performances of quantitative structure-retention relationship models with different sets of molecular descriptors and databases for high-performance liquid chromatography predictions.
Wang C; Skibic MJ; Higgs RE; Watson IA; Bui H; Wang J; Cintron JM
J Chromatogr A; 2009 Jun; 1216(25):5030-8. PubMed ID: 19439313
[TBL] [Abstract][Full Text] [Related]
13. Chemical database techniques in drug discovery.
Miller MA
Nat Rev Drug Discov; 2002 Mar; 1(3):220-7. PubMed ID: 12120506
[TBL] [Abstract][Full Text] [Related]
14. Atomic property fields: generalized 3D pharmacophoric potential for automated ligand superposition, pharmacophore elucidation and 3D QSAR.
Totrov M
Chem Biol Drug Des; 2008 Jan; 71(1):15-27. PubMed ID: 18069986
[TBL] [Abstract][Full Text] [Related]
15. Computational modeling of biologically active molecules using NMR spectra.
Beger RD
Drug Discov Today; 2006 May; 11(9-10):429-35. PubMed ID: 16635805
[TBL] [Abstract][Full Text] [Related]
16. Novel lead structures for p38 MAP kinase via FieldScreen virtual screening.
Cheeseright TJ; Holm M; Lehmann F; Luik S; Göttert M; Melville JL; Laufer S
J Med Chem; 2009 Jul; 52(14):4200-9. PubMed ID: 19489590
[TBL] [Abstract][Full Text] [Related]
17. Pruned receptor surface models and pharmacophores for three-dimensional database searching.
Sutherland JJ; O'Brien LA; Weaver DF
J Med Chem; 2004 Jul; 47(15):3777-87. PubMed ID: 15239656
[TBL] [Abstract][Full Text] [Related]
18. Benchmarking sets for molecular docking.
Huang N; Shoichet BK; Irwin JJ
J Med Chem; 2006 Nov; 49(23):6789-801. PubMed ID: 17154509
[TBL] [Abstract][Full Text] [Related]
19. Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information.
Hert J; Willett P; Wilton DJ; Acklin P; Azzaoui K; Jacoby E; Schuffenhauer A
J Med Chem; 2005 Nov; 48(22):7049-54. PubMed ID: 16250664
[TBL] [Abstract][Full Text] [Related]
20. A self-organizing algorithm for molecular alignment and pharmacophore development.
Bandyopadhyay D; Agrafiotis DK
J Comput Chem; 2008 Apr; 29(6):965-82. PubMed ID: 17999384
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
