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.
25. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking. Huang SY, Zou X. Proteins; 2007 Feb 01; 66(2):399-421. PubMed ID: 17096427 [Abstract] [Full Text] [Related]
26. Scoring ligand similarity in structure-based virtual screening. Zavodszky MI, Rohatgi A, Van Voorst JR, Yan H, Kuhn LA. J Mol Recognit; 2009 Feb 01; 22(4):280-92. PubMed ID: 19235177 [Abstract] [Full Text] [Related]
29. DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction. Velec HF, Gohlke H, Klebe G. J Med Chem; 2005 Oct 06; 48(20):6296-303. PubMed ID: 16190756 [Abstract] [Full Text] [Related]
30. Structure-based virtual screening with supervised consensus scoring: evaluation of pose prediction and enrichment factors. Teramoto R, Fukunishi H. J Chem Inf Model; 2008 Apr 06; 48(4):747-54. PubMed ID: 18318474 [Abstract] [Full Text] [Related]
33. Complementarity of hydrophobic properties in ATP-protein binding: a new criterion to rank docking solutions. Pyrkov TV, Kosinsky YA, Arseniev AS, Priestle JP, Jacoby E, Efremov RG. Proteins; 2007 Feb 01; 66(2):388-98. PubMed ID: 17094116 [Abstract] [Full Text] [Related]
34. SeleX-CS: a new consensus scoring algorithm for hit discovery and lead optimization. Bar-Haim S, Aharon A, Ben-Moshe T, Marantz Y, Senderowitz H. J Chem Inf Model; 2009 Mar 01; 49(3):623-33. PubMed ID: 19231809 [Abstract] [Full Text] [Related]
35. Virtual screening to enrich a compound collection with CDK2 inhibitors using docking, scoring, and composite scoring models. Cotesta S, Giordanetto F, Trosset JY, Crivori P, Kroemer RT, Stouten PF, Vulpetti A. Proteins; 2005 Sep 01; 60(4):629-43. PubMed ID: 16028223 [Abstract] [Full Text] [Related]