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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

211 related articles for article (PubMed ID: 16942017)

  • 1. A novel computational analysis of ligand-induced conformational changes in the ATP binding sites of cyclin dependent kinases.
    Subramanian J; Sharma S; B-Rao C
    J Med Chem; 2006 Sep; 49(18):5434-41. PubMed ID: 16942017
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Conformational selection of protein kinase A revealed by flexible-ligand flexible-protein docking.
    Huang Z; Wong CF
    J Comput Chem; 2009 Mar; 30(4):631-44. PubMed ID: 18711718
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Protein-ligand docking accounting for receptor side chain and global flexibility in normal modes: evaluation on kinase inhibitor cross docking.
    May A; Zacharias M
    J Med Chem; 2008 Jun; 51(12):3499-506. PubMed ID: 18517186
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Characteristics of the Plasmodium falciparum PK5 ATP-binding site: implications for the design of novel antimalarial agents.
    Keenan SM; Welsh WJ
    J Mol Graph Model; 2004 Jan; 22(3):241-7. PubMed ID: 14629982
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Computational sampling of a cryptic drug binding site in a protein receptor: explicit solvent molecular dynamics and inhibitor docking to p38 MAP kinase.
    Frembgen-Kesner T; Elcock AH
    J Mol Biol; 2006 May; 359(1):202-14. PubMed ID: 16616932
    [TBL] [Abstract][Full Text] [Related]  

  • 6. High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design.
    Schulze-Gahmen U; De Bondt HL; Kim SH
    J Med Chem; 1996 Nov; 39(23):4540-6. PubMed ID: 8917641
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Computational studies of tryptophanyl-tRNA synthetase: activation of ATP by induced-fit.
    Kapustina M; Carter CW
    J Mol Biol; 2006 Oct; 362(5):1159-80. PubMed ID: 16949606
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY; Zou X
    Proteins; 2007 Feb; 66(2):399-421. PubMed ID: 17096427
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Conformational diversity of ligands bound to proteins.
    Stockwell GR; Thornton JM
    J Mol Biol; 2006 Mar; 356(4):928-44. PubMed ID: 16405908
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Receptor flexibility in de novo ligand design and docking.
    Alberts IL; Todorov NP; Dean PM
    J Med Chem; 2005 Oct; 48(21):6585-96. PubMed ID: 16220975
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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; 66(2):388-98. PubMed ID: 17094116
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Fully automated flexible docking of ligands into flexible synthetic receptors using forward and inverse docking strategies.
    Kämper A; Apostolakis J; Rarey M; Marian CM; Lengauer T
    J Chem Inf Model; 2006; 46(2):903-11. PubMed ID: 16563022
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Flexible protein-flexible ligand docking with disrupted velocity simulated annealing.
    Huang Z; Wong CF; Wheeler RA
    Proteins; 2008 Apr; 71(1):440-54. PubMed ID: 17957770
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The role of residue stability in transient protein-protein interactions involved in enzymatic phosphate hydrolysis. A computational study.
    Bonet J; Caltabiano G; Khan AK; Johnston MA; Corbí C; Gómez A; Rovira X; Teyra J; Villà-Freixa J
    Proteins; 2006 Apr; 63(1):65-77. PubMed ID: 16374872
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Functionality maps of the ATP binding site of DNA gyrase B: generation of a consensus model of ligand binding.
    Schechner M; Sirockin F; Stote RH; Dejaegere AP
    J Med Chem; 2004 Aug; 47(18):4373-90. PubMed ID: 15317451
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Structural determinants of CDK4 inhibition and design of selective ATP competitive inhibitors.
    McInnes C; Wang S; Anderson S; O'Boyle J; Jackson W; Kontopidis G; Meades C; Mezna M; Thomas M; Wood G; Lane DP; Fischer PM
    Chem Biol; 2004 Apr; 11(4):525-34. PubMed ID: 15123247
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Modeling and selection of flexible proteins for structure-based drug design: backbone and side chain movements in p38 MAPK.
    Subramanian J; Sharma S; B-Rao C
    ChemMedChem; 2008 Feb; 3(2):336-44. PubMed ID: 18081134
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Rapid protein-ligand docking using soft modes from molecular dynamics simulations to account for protein deformability: binding of FK506 to FKBP.
    Zacharias M
    Proteins; 2004 Mar; 54(4):759-67. PubMed ID: 14997571
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Homology modeling and docking study of cyclin-dependent kinase (CDK) 10.
    Sun M; Li Z; Zhang Y; Zheng Q; Sun CC
    Bioorg Med Chem Lett; 2005 Jun; 15(11):2851-6. PubMed ID: 15911267
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Pyrazolo[3,4-c]pyridazines as novel and selective inhibitors of cyclin-dependent kinases.
    Braña MF; Cacho M; García ML; Mayoral EP; López B; de Pascual-Teresa B; Ramos A; Acero N; Llinares F; Muñoz-Mingarro D; Lozach O; Meijer L
    J Med Chem; 2005 Nov; 48(22):6843-54. PubMed ID: 16250643
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.