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 *

184 related articles for article (PubMed ID: 18986122)

  • 1. Assessing the role of polarization in docking.
    Illingworth CJ; Morris GM; Parkes KE; Snell CR; Reynolds CA
    J Phys Chem A; 2008 Nov; 112(47):12157-63. PubMed ID: 18986122
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Classical polarization in hybrid QM/MM methods.
    Illingworth CJ; Gooding SR; Winn PJ; Jones GA; Ferenczy GG; Reynolds CA
    J Phys Chem A; 2006 May; 110(20):6487-97. PubMed ID: 16706406
    [TBL] [Abstract][Full Text] [Related]  

  • 3. PSI-DOCK: towards highly efficient and accurate flexible ligand docking.
    Pei J; Wang Q; Liu Z; Li Q; Yang K; Lai L
    Proteins; 2006 Mar; 62(4):934-46. PubMed ID: 16395666
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Effect of input differences on the results of docking calculations.
    Feher M; Williams CI
    J Chem Inf Model; 2009 Jul; 49(7):1704-14. PubMed ID: 19530660
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Steering protein-ligand docking with quantitative NMR chemical shift perturbations.
    González-Ruiz D; Gohlke H
    J Chem Inf Model; 2009 Oct; 49(10):2260-71. PubMed ID: 19795907
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Fully automated molecular mechanics based induced fit protein-ligand docking method.
    Koska J; Spassov VZ; Maynard AJ; Yan L; Austin N; Flook PK; Venkatachalam CM
    J Chem Inf Model; 2008 Oct; 48(10):1965-73. PubMed ID: 18816046
    [TBL] [Abstract][Full Text] [Related]  

  • 7. ConsDock: A new program for the consensus analysis of protein-ligand interactions.
    Paul N; Rognan D
    Proteins; 2002 Jun; 47(4):521-33. PubMed ID: 12001231
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
    Stroganov OV; Novikov FN; Stroylov VS; Kulkov V; Chilov GG
    J Chem Inf Model; 2008 Dec; 48(12):2371-85. PubMed ID: 19007114
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Protein-ligand docking against non-native protein conformers.
    Verdonk ML; Mortenson PN; Hall RJ; Hartshorn MJ; Murray CW
    J Chem Inf Model; 2008 Nov; 48(11):2214-25. PubMed ID: 18954138
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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; 48(20):6296-303. PubMed ID: 16190756
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Redistributed charge and dipole schemes for combined quantum mechanical and molecular mechanical calculations.
    Lin H; Truhlar DG
    J Phys Chem A; 2005 May; 109(17):3991-4004. PubMed ID: 16833721
    [TBL] [Abstract][Full Text] [Related]  

  • 12. SDOCKER: a method utilizing existing X-ray structures to improve docking accuracy.
    Wu G; Vieth M
    J Med Chem; 2004 Jun; 47(12):3142-8. PubMed ID: 15163194
    [TBL] [Abstract][Full Text] [Related]  

  • 13. GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm.
    Li H; Li C; Gui C; Luo X; Chen K; Shen J; Wang X; Jiang H
    Bioorg Med Chem Lett; 2004 Sep; 14(18):4671-6. PubMed ID: 15324886
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Extension of QM/MM docking and its applications to metalloproteins.
    Cho AE; Rinaldo D
    J Comput Chem; 2009 Dec; 30(16):2609-16. PubMed ID: 19373896
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Novel procedure for modeling ligand/receptor induced fit effects.
    Sherman W; Day T; Jacobson MP; Friesner RA; Farid R
    J Med Chem; 2006 Jan; 49(2):534-53. PubMed ID: 16420040
    [TBL] [Abstract][Full Text] [Related]  

  • 17. High quality binding modes in docking ligands to proteins.
    Gorelik B; Goldblum A
    Proteins; 2008 May; 71(3):1373-86. PubMed ID: 18058908
    [TBL] [Abstract][Full Text] [Related]  

  • 18. An alternative method for the evaluation of docking performance: RSR vs RMSD.
    Yusuf D; Davis AM; Kleywegt GJ; Schmitt S
    J Chem Inf Model; 2008 Jul; 48(7):1411-22. PubMed ID: 18598022
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.
    Cross JB; Thompson DC; Rai BK; Baber JC; Fan KY; Hu Y; Humblet C
    J Chem Inf Model; 2009 Jun; 49(6):1455-74. PubMed ID: 19476350
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 10.