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.
289 related articles for article (PubMed ID: 19594423)
1. Computational resources for protein modelling and drug discovery applications. Dhaliwal B; Chen YW Infect Disord Drug Targets; 2009 Nov; 9(5):557-62. PubMed ID: 19594423 [TBL] [Abstract][Full Text] [Related]
2. 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]
3. A review of MED-SuMo applications. Doppelt-Azeroual O; Moriaud F; Adcock SA; Delfaud F Infect Disord Drug Targets; 2009 Jun; 9(3):344-57. PubMed ID: 19519487 [TBL] [Abstract][Full Text] [Related]
4. Free resources to assist structure-based virtual ligand screening experiments. Villoutreix BO; Renault N; Lagorce D; Sperandio O; Montes M; Miteva MA Curr Protein Pept Sci; 2007 Aug; 8(4):381-411. PubMed ID: 17696871 [TBL] [Abstract][Full Text] [Related]
5. Protein structure and computational drug discovery. Nero TL; Parker MW; Morton CJ Biochem Soc Trans; 2018 Oct; 46(5):1367-1379. PubMed ID: 30242117 [TBL] [Abstract][Full Text] [Related]
6. The use of protein-ligand interaction fingerprints in docking. Brewerton SC Curr Opin Drug Discov Devel; 2008 May; 11(3):356-64. PubMed ID: 18428089 [TBL] [Abstract][Full Text] [Related]
7. Molecular Dynamics as a Tool for Virtual Ligand Screening. Menchon G; Maveyraud L; Czaplicki G Methods Mol Biol; 2018; 1762():145-178. PubMed ID: 29594772 [TBL] [Abstract][Full Text] [Related]
8. A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach. Estrada T; Zhang B; Cicotti P; Armen RS; Taufer M Comput Biol Med; 2012 Jul; 42(7):758-71. PubMed ID: 22658682 [TBL] [Abstract][Full Text] [Related]
10. Evaluation of Protein-Ligand Docking by Cyscore. Cao Y; Dai W; Miao Z Methods Mol Biol; 2018; 1762():233-243. PubMed ID: 29594775 [TBL] [Abstract][Full Text] [Related]
11. From drug target to leads--sketching a physicochemical pathway for lead molecule design in silico. Shaikh SA; Jain T; Sandhu G; Latha N; Jayaram B Curr Pharm Des; 2007; 13(34):3454-70. PubMed ID: 18220783 [TBL] [Abstract][Full Text] [Related]
12. A large-scale computational approach to drug repositioning. Li YY; An J; Jones SJ Genome Inform; 2006; 17(2):239-47. PubMed ID: 17503396 [TBL] [Abstract][Full Text] [Related]
13. Computational methodologies for compound database searching that utilize experimental protein-ligand interaction information. Tan L; Batista J; Bajorath J Chem Biol Drug Des; 2010 Sep; 76(3):191-200. PubMed ID: 20636330 [TBL] [Abstract][Full Text] [Related]
14. Protein-Protein Docking in Drug Design and Discovery. Kaczor AA; Bartuzi D; Stępniewski TM; Matosiuk D; Selent J Methods Mol Biol; 2018; 1762():285-305. PubMed ID: 29594778 [TBL] [Abstract][Full Text] [Related]
15. Structure-based drug design: docking and scoring. Kroemer RT Curr Protein Pept Sci; 2007 Aug; 8(4):312-28. PubMed ID: 17696866 [TBL] [Abstract][Full Text] [Related]
16. Ligand-target prediction by structural network biology using nAnnoLyze. Martínez-Jiménez F; Marti-Renom MA PLoS Comput Biol; 2015 Mar; 11(3):e1004157. PubMed ID: 25816344 [TBL] [Abstract][Full Text] [Related]
17. Knowledge-based scoring functions in drug design: 3. A two-dimensional knowledge-based hydrogen-bonding potential for the prediction of protein-ligand interactions. Zheng M; Xiong B; Luo C; Li S; Liu X; Shen Q; Li J; Zhu W; Luo X; Jiang H J Chem Inf Model; 2011 Nov; 51(11):2994-3004. PubMed ID: 21999432 [TBL] [Abstract][Full Text] [Related]
18. Computational tools for the analysis and visualization of multiple protein-ligand complexes. O'Brien SE; Brown DG; Mills JE; Phillips C; Morris G J Mol Graph Model; 2005 Dec; 24(3):186-94. PubMed ID: 16169759 [TBL] [Abstract][Full Text] [Related]
19. Modelling and simulation: a computational perspective in anticancer drug discovery. Gago F Curr Med Chem Anticancer Agents; 2004 Sep; 4(5):401-3. PubMed ID: 15379692 [TBL] [Abstract][Full Text] [Related]