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.
2. GES polypharmacology fingerprints: a novel approach for drug repositioning. Pérez-Nueno VI; Karaboga AS; Souchet M; Ritchie DW J Chem Inf Model; 2014 Mar; 54(3):720-34. PubMed ID: 24494653 [TBL] [Abstract][Full Text] [Related]
3. 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]
4. Polypharmacology directed compound data mining: identification of promiscuous chemotypes with different activity profiles and comparison to approved drugs. Hu Y; Bajorath J J Chem Inf Model; 2010 Dec; 50(12):2112-8. PubMed ID: 21070069 [TBL] [Abstract][Full Text] [Related]
5. Comparison and druggability prediction of protein-ligand binding sites from pharmacophore-annotated cavity shapes. Desaphy J; Azdimousa K; Kellenberger E; Rognan D J Chem Inf Model; 2012 Aug; 52(8):2287-99. PubMed ID: 22834646 [TBL] [Abstract][Full Text] [Related]
9. COSMOsim3D: 3D-similarity and alignment based on COSMO polarization charge densities. Thormann M; Klamt A; Wichmann K J Chem Inf Model; 2012 Aug; 52(8):2149-56. PubMed ID: 22804925 [TBL] [Abstract][Full Text] [Related]
10. Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions. Minai R; Matsuo Y; Onuki H; Hirota H Proteins; 2008 Jul; 72(1):367-81. PubMed ID: 18214952 [TBL] [Abstract][Full Text] [Related]
11. 3D molecular descriptors important for clinical success. Kombo DC; Tallapragada K; Jain R; Chewning J; Mazurov AA; Speake JD; Hauser TA; Toler S J Chem Inf Model; 2013 Feb; 53(2):327-42. PubMed ID: 23244494 [TBL] [Abstract][Full Text] [Related]
12. Screening of drug target proteins by 2D ligand matching approach. Feng J; Guo H; Wang J; Lu T Chem Biol Drug Des; 2014 Feb; 83(2):174-82. PubMed ID: 24034065 [TBL] [Abstract][Full Text] [Related]
13. Activity profile relationships between structurally similar promiscuous compounds. Hu Y; Bajorath J Eur J Med Chem; 2013 Nov; 69():393-8. PubMed ID: 24077530 [TBL] [Abstract][Full Text] [Related]
15. Anticipating drug side effects by comparative pharmacology. Garcia-Serna R; Mestres J Expert Opin Drug Metab Toxicol; 2010 Oct; 6(10):1253-63. PubMed ID: 20662552 [TBL] [Abstract][Full Text] [Related]
16. Scoring functions for prediction of protein-ligand interactions. Wang JC; Lin JH Curr Pharm Des; 2013; 19(12):2174-82. PubMed ID: 23016847 [TBL] [Abstract][Full Text] [Related]
17. 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]
19. Electrostatic-field and surface-shape similarity for virtual screening and pose prediction. Cleves AE; Johnson SR; Jain AN J Comput Aided Mol Des; 2019 Oct; 33(10):865-886. PubMed ID: 31650386 [TBL] [Abstract][Full Text] [Related]
20. Predicting targeted polypharmacology for drug repositioning and multi- target drug discovery. Liu X; Zhu F; Ma XH; Shi Z; Yang SY; Wei YQ; Chen YZ Curr Med Chem; 2013; 20(13):1646-61. PubMed ID: 23410165 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]