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Journal Abstract Search
294 related items for PubMed ID: 15651036
21. Chemical proteomic tool for ligand mapping of CYP antitargets: an NMR-compatible 3D QSAR descriptor in the Heme-Based Coordinate System. Yao H, Costache AD, Sem DS. J Chem Inf Comput Sci; 2004; 44(4):1456-65. PubMed ID: 15272854 [Abstract] [Full Text] [Related]
22. Generalized modeling of enzyme-ligand interactions using proteochemometrics and local protein substructures. Strömbergsson H, Kryshtafovych A, Prusis P, Fidelis K, Wikberg JE, Komorowski J, Hvidsten TR. Proteins; 2006 Nov 15; 65(3):568-79. PubMed ID: 16948162 [Abstract] [Full Text] [Related]
23. Prediction of drug-like molecular properties: modeling cytochrome p450 interactions. Jalaie M, Arimoto R, Gifford E, Schefzick S, Waller CL. Methods Mol Biol; 2004 Nov 15; 275():449-520. PubMed ID: 15141126 [Abstract] [Full Text] [Related]
24. Evaluation of docking performance: comparative data on docking algorithms. Kontoyianni M, McClellan LM, Sokol GS. J Med Chem; 2004 Jan 29; 47(3):558-65. PubMed ID: 14736237 [Abstract] [Full Text] [Related]
25. EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization. Grosdidier A, Zoete V, Michielin O. Proteins; 2007 Jun 01; 67(4):1010-25. PubMed ID: 17380512 [Abstract] [Full Text] [Related]
26. Crystal structure of inhibitor-bound P450BM-3 reveals open conformation of substrate access channel. Haines DC, Chen B, Tomchick DR, Bondlela M, Hegde A, Machius M, Peterson JA. Biochemistry; 2008 Mar 25; 47(12):3662-70. PubMed ID: 18298086 [Abstract] [Full Text] [Related]
27. Heme proteins--diversity in structural characteristics, function, and folding. Smith LJ, Kahraman A, Thornton JM. Proteins; 2010 Aug 01; 78(10):2349-68. PubMed ID: 20544970 [Abstract] [Full Text] [Related]
28. The targets of CAPRI rounds 6-12. Janin J. Proteins; 2007 Dec 01; 69(4):699-703. PubMed ID: 17671980 [Abstract] [Full Text] [Related]
29. Information theory-based scoring function for the structure-based prediction of protein-ligand binding affinity. Kulharia M, Goody RS, Jackson RM. J Chem Inf Model; 2008 Oct 01; 48(10):1990-8. PubMed ID: 18767831 [Abstract] [Full Text] [Related]
30. Docking to heme proteins. Röhrig UF, Grosdidier A, Zoete V, Michielin O. J Comput Chem; 2009 Nov 15; 30(14):2305-15. PubMed ID: 19288474 [Abstract] [Full Text] [Related]
31. Human P450s involved in drug metabolism and the use of structural modelling for understanding substrate selectivity and binding affinity. Lewis DF, Ito Y. Xenobiotica; 2009 Aug 15; 39(8):625-35. PubMed ID: 19514836 [Abstract] [Full Text] [Related]
32. 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 Aug 15; 46(6):2698-708. PubMed ID: 17125210 [Abstract] [Full Text] [Related]
33. Protein-ligand docking against non-native protein conformers. Verdonk ML, Mortenson PN, Hall RJ, Hartshorn MJ, Murray CW. J Chem Inf Model; 2008 Nov 15; 48(11):2214-25. PubMed ID: 18954138 [Abstract] [Full Text] [Related]
34. The performance of ZDOCK and ZRANK in rounds 6-11 of CAPRI. Wiehe K, Pierce B, Tong WW, Hwang H, Mintseris J, Weng Z. Proteins; 2007 Dec 01; 69(4):719-25. PubMed ID: 17803212 [Abstract] [Full Text] [Related]
35. Compound lipophilicity for substrate binding to human P450s in drug metabolism. Lewis DF, Jacobs MN, Dickins M. Drug Discov Today; 2004 Jun 15; 9(12):530-7. PubMed ID: 15183161 [Abstract] [Full Text] [Related]
36. Incorporating intermolecular distance into protein-protein docking. Lei H, Duan Y. Protein Eng Des Sel; 2004 Dec 15; 17(12):837-45. PubMed ID: 15713781 [Abstract] [Full Text] [Related]
37. HADDOCK versus HADDOCK: new features and performance of HADDOCK2.0 on the CAPRI targets. de Vries SJ, van Dijk AD, Krzeminski M, van Dijk M, Thureau A, Hsu V, Wassenaar T, Bonvin AM. Proteins; 2007 Dec 01; 69(4):726-33. PubMed ID: 17803234 [Abstract] [Full Text] [Related]
38. Development and validation of a genetic algorithm for flexible docking. Jones G, Willett P, Glen RC, Leach AR, Taylor R. J Mol Biol; 1997 Apr 04; 267(3):727-48. PubMed ID: 9126849 [Abstract] [Full Text] [Related]
39. Binding MOAD (Mother Of All Databases). Hu L, Benson ML, Smith RD, Lerner MG, Carlson HA. Proteins; 2005 Aug 15; 60(3):333-40. PubMed ID: 15971202 [Abstract] [Full Text] [Related]
40. Structure-based CoMFA as a predictive model - CYP2C9 inhibitors as a test case. Yasuo K, Yamaotsu N, Gouda H, Tsujishita H, Hirono S. J Chem Inf Model; 2009 Apr 15; 49(4):853-64. PubMed ID: 19391630 [Abstract] [Full Text] [Related] Page: [Previous] [Next] [New Search]