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.
237 related articles for article (PubMed ID: 16729732)
1. Characterization of protein-ligand interaction sites using experimental and computational methods. Vajda S; Guarnieri F Curr Opin Drug Discov Devel; 2006 May; 9(3):354-62. PubMed ID: 16729732 [TBL] [Abstract][Full Text] [Related]
2. Grand canonical Monte Carlo simulation of ligand-protein binding. Clark M; Guarnieri F; Shkurko I; Wiseman J J Chem Inf Model; 2006; 46(1):231-42. PubMed ID: 16426059 [TBL] [Abstract][Full Text] [Related]
3. Predicting protein druggability. Hajduk PJ; Huth JR; Tse C Drug Discov Today; 2005 Dec; 10(23-24):1675-82. PubMed ID: 16376828 [TBL] [Abstract][Full Text] [Related]
4. EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization. Grosdidier A; Zoete V; Michielin O Proteins; 2007 Jun; 67(4):1010-25. PubMed ID: 17380512 [TBL] [Abstract][Full Text] [Related]
5. High-throughput X-ray crystallography for drug discovery. Blundell TL; Patel S Curr Opin Pharmacol; 2004 Oct; 4(5):490-6. PubMed ID: 15351354 [TBL] [Abstract][Full Text] [Related]
6. A novel approach to local similarity of protein binding sites substantially improves computational drug design results. Ramensky V; Sobol A; Zaitseva N; Rubinov A; Zosimov V Proteins; 2007 Nov; 69(2):349-57. PubMed ID: 17623865 [TBL] [Abstract][Full Text] [Related]
7. 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]
8. Improved lead-finding for kinase targets using high-throughput docking. McInnes C Curr Opin Drug Discov Devel; 2006 May; 9(3):339-47. PubMed ID: 16729730 [TBL] [Abstract][Full Text] [Related]
9. Lead optimization via high-throughput molecular docking. Joseph-McCarthy D; Baber JC; Feyfant E; Thompson DC; Humblet C Curr Opin Drug Discov Devel; 2007 May; 10(3):264-74. PubMed ID: 17554852 [TBL] [Abstract][Full Text] [Related]
10. Form follows function: shape analysis of protein cavities for receptor-based drug design. Weisel M; Proschak E; Kriegl JM; Schneider G Proteomics; 2009 Jan; 9(2):451-9. PubMed ID: 19142949 [TBL] [Abstract][Full Text] [Related]
11. Application and limitations of X-ray crystallographic data in structure-based ligand and drug design. Davis AM; Teague SJ; Kleywegt GJ Angew Chem Int Ed Engl; 2003 Jun; 42(24):2718-36. PubMed ID: 12820253 [TBL] [Abstract][Full Text] [Related]
12. The devil is still in the details--driving early drug discovery forward with biophysical experimental methods. Lundqvist T Curr Opin Drug Discov Devel; 2005 Jul; 8(4):513-9. PubMed ID: 16022188 [TBL] [Abstract][Full Text] [Related]
13. Binding site detection and druggability index from first principles. Seco J; Luque FJ; Barril X J Med Chem; 2009 Apr; 52(8):2363-71. PubMed ID: 19296650 [TBL] [Abstract][Full Text] [Related]
14. Fragment-based screening using X-ray crystallography and NMR spectroscopy. Jhoti H; Cleasby A; Verdonk M; Williams G Curr Opin Chem Biol; 2007 Oct; 11(5):485-93. PubMed ID: 17851109 [TBL] [Abstract][Full Text] [Related]
15. Computational approaches to identifying and characterizing protein binding sites for ligand design. Henrich S; Salo-Ahen OM; Huang B; Rippmann FF; Cruciani G; Wade RC J Mol Recognit; 2010; 23(2):209-19. PubMed ID: 19746440 [TBL] [Abstract][Full Text] [Related]
16. Ligand specificity in fragment-based drug design. Barelier S; Pons J; Gehring K; Lancelin JM; Krimm I J Med Chem; 2010 Jul; 53(14):5256-66. PubMed ID: 20575554 [TBL] [Abstract][Full Text] [Related]
17. Ligand mapping on protein surfaces by the 3D-RISM theory: toward computational fragment-based drug design. Imai T; Oda K; Kovalenko A; Hirata F; Kidera A J Am Chem Soc; 2009 Sep; 131(34):12430-40. PubMed ID: 19655800 [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]