These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
27. Docking ligands into flexible and solvated macromolecules. 3. Impact of input ligand conformation, protein flexibility, and water molecules on the accuracy of docking programs. Corbeil CR; Moitessier N J Chem Inf Model; 2009 Apr; 49(4):997-1009. PubMed ID: 19391631 [TBL] [Abstract][Full Text] [Related]
29. Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitors. Li C; Xu L; Wolan DW; Wilson IA; Olson AJ J Med Chem; 2004 Dec; 47(27):6681-90. PubMed ID: 15615517 [TBL] [Abstract][Full Text] [Related]
30. 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]
31. Virtual screening against Mycobacterium tuberculosis dihydrofolate reductase: suggested workflow for compound prioritization using structure interaction fingerprints. Kumar A; Siddiqi MI J Mol Graph Model; 2008 Nov; 27(4):476-88. PubMed ID: 18829358 [TBL] [Abstract][Full Text] [Related]
32. Pursuing aldose reductase inhibitors through in situ cross-docking and similarity-based virtual screening. Cosconati S; Marinelli L; La Motta C; Sartini S; Da Settimo F; Olson AJ; Novellino E J Med Chem; 2009 Sep; 52(18):5578-81. PubMed ID: 19719141 [TBL] [Abstract][Full Text] [Related]
33. Aminothiazole inhibitors of HCV RNA polymerase. Shipps GW; Deng Y; Wang T; Popovici-Muller J; Curran PJ; Rosner KE; Cooper AB; Girijavallabhan V; Butkiewicz N; Cable M Bioorg Med Chem Lett; 2005 Jan; 15(1):115-9. PubMed ID: 15582422 [TBL] [Abstract][Full Text] [Related]
34. Virtual screening approach for the identification of new Rac1 inhibitors. Ferri N; Corsini A; Bottino P; Clerici F; Contini A J Med Chem; 2009 Jul; 52(14):4087-90. PubMed ID: 19527032 [TBL] [Abstract][Full Text] [Related]
35. Evaluation of virtual screening as a tool for chemical genetic applications. Campagna-Slater V; Schapira M J Chem Inf Model; 2009 Sep; 49(9):2082-91. PubMed ID: 19702241 [TBL] [Abstract][Full Text] [Related]
36. High-throughput screening assay of hepatitis C virus helicase inhibitors using fluorescence-quenching phenomenon. Tani H; Akimitsu N; Fujita O; Matsuda Y; Miyata R; Tsuneda S; Igarashi M; Sekiguchi Y; Noda N Biochem Biophys Res Commun; 2009 Feb; 379(4):1054-9. PubMed ID: 19150342 [TBL] [Abstract][Full Text] [Related]
37. Enrichment of virtual hits by progressive shape-matching and docking. Choi J; He N; Kim N; Yoon S J Mol Graph Model; 2012 Feb; 32():82-8. PubMed ID: 22088763 [TBL] [Abstract][Full Text] [Related]
38. Docking ligands into flexible and solvated macromolecules. 7. Impact of protein flexibility and water molecules on docking-based virtual screening accuracy. Therrien E; Weill N; Tomberg A; Corbeil CR; Lee D; Moitessier N J Chem Inf Model; 2014 Nov; 54(11):3198-210. PubMed ID: 25280064 [TBL] [Abstract][Full Text] [Related]
39. Structure-based discovery of triphenylmethane derivatives as inhibitors of hepatitis C virus helicase. Chen CS; Chiou CT; Chen GS; Chen SC; Hu CY; Chi WK; Chu YD; Hwang LH; Chen PJ; Chen DS; Liaw SH; Chern JW J Med Chem; 2009 May; 52(9):2716-23. PubMed ID: 19419203 [TBL] [Abstract][Full Text] [Related]
40. Virtual screening of Abl inhibitors from large compound libraries by support vector machines. Liu XH; Ma XH; Tan CY; Jiang YY; Go ML; Low BC; Chen YZ J Chem Inf Model; 2009 Sep; 49(9):2101-10. PubMed ID: 19689138 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]