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.
164 related articles for article (PubMed ID: 22468890)
1. Identifying and characterizing promiscuous targets: implications for virtual screening. Pérez-Nueno VI; Ritchie DW Expert Opin Drug Discov; 2012 Jan; 7(1):1-17. PubMed ID: 22468890 [TBL] [Abstract][Full Text] [Related]
2. Using consensus-shape clustering to identify promiscuous ligands and protein targets and to choose the right query for shape-based virtual screening. Pérez-Nueno VI; Ritchie DW J Chem Inf Model; 2011 Jun; 51(6):1233-48. PubMed ID: 21604699 [TBL] [Abstract][Full Text] [Related]
3. Protein promiscuity: drug resistance and native functions--HIV-1 case. Fernández A; Tawfik DS; Berkhout B; Sanders R; Kloczkowski A; Sen T; Jernigan B J Biomol Struct Dyn; 2005 Jun; 22(6):615-24. PubMed ID: 15842167 [TBL] [Abstract][Full Text] [Related]
4. 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]
5. VS-APPLE: A Virtual Screening Algorithm Using Promiscuous Protein-Ligand Complexes. Okuno T; Kato K; Terada TP; Sasai M; Chikenji G J Chem Inf Model; 2015 Jun; 55(6):1108-19. PubMed ID: 26057716 [TBL] [Abstract][Full Text] [Related]
6. Integrating ligand-based and protein-centric virtual screening of kinase inhibitors using ensembles of multiple protein kinase genes and conformations. Dixit A; Verkhivker GM J Chem Inf Model; 2012 Oct; 52(10):2501-15. PubMed ID: 22992037 [TBL] [Abstract][Full Text] [Related]
7. Ranking targets in structure-based virtual screening of three-dimensional protein libraries: methods and problems. Kellenberger E; Foata N; Rognan D J Chem Inf Model; 2008 May; 48(5):1014-25. PubMed ID: 18412328 [TBL] [Abstract][Full Text] [Related]
8. Consensus scoring for protein-ligand interactions. Feher M Drug Discov Today; 2006 May; 11(9-10):421-8. PubMed ID: 16635804 [TBL] [Abstract][Full Text] [Related]
9. High Impact: The Role of Promiscuous Binding Sites in Polypharmacology. Cerisier N; Petitjean M; Regad L; Bayard Q; Réau M; Badel A; Camproux AC Molecules; 2019 Jul; 24(14):. PubMed ID: 31295958 [TBL] [Abstract][Full Text] [Related]
12. Virtual compound screening in drug discovery. Stumpfe D; Ripphausen P; Bajorath J Future Med Chem; 2012 Apr; 4(5):593-602. PubMed ID: 22458679 [TBL] [Abstract][Full Text] [Related]
13. Importance of molecular computer modeling in anticancer drug development. Geromichalos GD J BUON; 2007 Sep; 12 Suppl 1():S101-18. PubMed ID: 17935268 [TBL] [Abstract][Full Text] [Related]
14. Clustering and classifying diverse HIV entry inhibitors using a novel consensus shape-based virtual screening approach: further evidence for multiple binding sites within the CCR5 extracellular pocket. Pérez-Nueno VI; Ritchie DW; Borrell JI; Teixidó J J Chem Inf Model; 2008 Nov; 48(11):2146-65. PubMed ID: 18942828 [TBL] [Abstract][Full Text] [Related]
15. ReverseScreen3D: a structure-based ligand matching method to identify protein targets. Kinnings SL; Jackson RM J Chem Inf Model; 2011 Mar; 51(3):624-34. PubMed ID: 21361385 [TBL] [Abstract][Full Text] [Related]
16. Analysis and optimization of structure-based virtual screening protocols (1): exploration of ligand conformational sampling techniques. Good AC; Cheney DL J Mol Graph Model; 2003 Sep; 22(1):23-30. PubMed ID: 12798388 [TBL] [Abstract][Full Text] [Related]
17. [Development of antituberculous drugs: current status and future prospects]. Tomioka H; Namba K Kekkaku; 2006 Dec; 81(12):753-74. PubMed ID: 17240921 [TBL] [Abstract][Full Text] [Related]
18. Predicting the multi-modal binding propensity of small molecules: towards an understanding of drug promiscuity. Park K; Lee S; Ahn HS; Kim D Mol Biosyst; 2009 Aug; 5(8):844-53. PubMed ID: 19603120 [TBL] [Abstract][Full Text] [Related]
19. Virtual screening in drug design. Lill M Methods Mol Biol; 2013; 993():1-12. PubMed ID: 23568460 [TBL] [Abstract][Full Text] [Related]
20. Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods. Venkatraman V; Pérez-Nueno VI; Mavridis L; Ritchie DW J Chem Inf Model; 2010 Dec; 50(12):2079-93. PubMed ID: 21090728 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]