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 *

146 related articles for article (PubMed ID: 9879504)

  • 1. Do active site conformations of small ligands correspond to low free-energy solution structures?
    Vieth M; Hirst JD; Brooks CL
    J Comput Aided Mol Des; 1998 Nov; 12(6):563-72. PubMed ID: 9879504
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Conformational analysis of single-base bulges in A-form DNA and RNA using a hierarchical approach and energetic evaluation with a continuum solvent model.
    Zacharias M; Sklenar H
    J Mol Biol; 1999 Jun; 289(2):261-75. PubMed ID: 10366504
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A self-organizing algorithm for molecular alignment and pharmacophore development.
    Bandyopadhyay D; Agrafiotis DK
    J Comput Chem; 2008 Apr; 29(6):965-82. PubMed ID: 17999384
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Empirical solvation models in the context of conformational energy searches: application to bovine pancreatic trypsin inhibitor.
    Williams RL; Vila J; Perrot G; Scheraga HA
    Proteins; 1992 Sep; 14(1):110-9. PubMed ID: 1384032
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Interconversion of ATP binding and conformational free energies by tryptophanyl-tRNA synthetase: structures of ATP bound to open and closed, pre-transition-state conformations.
    Retailleau P; Huang X; Yin Y; Hu M; Weinreb V; Vachette P; Vonrhein C; Bricogne G; Roversi P; Ilyin V; Carter CW
    J Mol Biol; 2003 Jan; 325(1):39-63. PubMed ID: 12473451
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A fast and efficient method to generate biologically relevant conformations.
    Klebe G; Mietzner T
    J Comput Aided Mol Des; 1994 Oct; 8(5):583-606. PubMed ID: 7876902
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The dynamics, structure, and conformational free energy of proline-containing antifreeze glycoprotein.
    Nguyen DH; Colvin ME; Yeh Y; Feeney RE; Fink WH
    Biophys J; 2002 Jun; 82(6):2892-905. PubMed ID: 12023212
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Computational combinatorial ligand design: application to human alpha-thrombin.
    Caflisch A
    J Comput Aided Mol Des; 1996 Oct; 10(5):372-96. PubMed ID: 8951649
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Flexible matching of test ligands to a 3D pharmacophore using a molecular superposition force field: comparison of predicted and experimental conformations of inhibitors of three enzymes.
    McMartin C; Bohacek RS
    J Comput Aided Mol Des; 1995 Jun; 9(3):237-50. PubMed ID: 7561976
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Analysis of the stability of looped-out and stacked-in conformations of an adenine bulge in DNA using a continuum model for solvent and ions.
    Zacharias M; Sklenar H
    Biophys J; 1997 Dec; 73(6):2990-3003. PubMed ID: 9414214
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A three-dimensional model of the delta-opioid pharmacophore: comparative molecular modeling of peptide and nonpeptide ligands.
    Shenderovich MD; Liao S; Qian X; Hruby VJ
    Biopolymers; 2000 Jun; 53(7):565-80. PubMed ID: 10766952
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Continuum electrostatic analysis of preferred solvation sites around proteins in solution.
    Dennis S; Camacho CJ; Vajda S
    Proteins; 2000 Feb; 38(2):176-88. PubMed ID: 10656264
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Torsion angle preference and energetics of small-molecule ligands bound to proteins.
    Hao MH; Haq O; Muegge I
    J Chem Inf Model; 2007; 47(6):2242-52. PubMed ID: 17880058
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy.
    Guvench O; Weiser J; Shenkin P; Kolossváry I; Still WC
    J Comput Chem; 2002 Jan; 23(2):214-21. PubMed ID: 11924735
    [TBL] [Abstract][Full Text] [Related]  

  • 15. An anchor-dependent molecular docking process for docking small flexible molecules into rigid protein receptors.
    Lin TH; Lin GL
    J Chem Inf Model; 2008 Aug; 48(8):1638-55. PubMed ID: 18642894
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Testing a flexible-receptor docking algorithm in a model binding site.
    Wei BQ; Weaver LH; Ferrari AM; Matthews BW; Shoichet BK
    J Mol Biol; 2004 Apr; 337(5):1161-82. PubMed ID: 15046985
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydration.
    Genheden S; Mikulskis P; Hu L; Kongsted J; Söderhjelm P; Ryde U
    J Am Chem Soc; 2011 Aug; 133(33):13081-92. PubMed ID: 21728337
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Crystal structures of the recombinant kringle 1 domain of human plasminogen in complexes with the ligands epsilon-aminocaproic acid and trans-4-(aminomethyl)cyclohexane-1-carboxylic Acid.
    Mathews II; Vanderhoff-Hanaver P; Castellino FJ; Tulinsky A
    Biochemistry; 1996 Feb; 35(8):2567-76. PubMed ID: 8611560
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Conformational analysis of D1 dopamine receptor agonists: pharmacophore assessment and receptor mapping.
    Mottola DM; Laiter S; Watts VJ; Tropsha A; Wyrick SD; Nichols DE; Mailman RB
    J Med Chem; 1996 Jan; 39(1):285-96. PubMed ID: 8568818
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Virtual screening against highly charged active sites: identifying substrates of alpha-beta barrel enzymes.
    Kalyanaraman C; Bernacki K; Jacobson MP
    Biochemistry; 2005 Feb; 44(6):2059-71. PubMed ID: 15697231
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.