BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

164 related articles for article (PubMed ID: 18446296)

  • 1. Receptor flexibility for large-scale in silico ligand screens: chances and challenges.
    Fischer B; Merlitz H; Wenzel W
    Methods Mol Biol; 2008; 443():353-64. PubMed ID: 18446296
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Protein flexibility in ligand docking and virtual screening to protein kinases.
    Cavasotto CN; Abagyan RA
    J Mol Biol; 2004 Mar; 337(1):209-25. PubMed ID: 15001363
    [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. Representing receptor flexibility in ligand docking through relevant normal modes.
    Cavasotto CN; Kovacs JA; Abagyan RA
    J Am Chem Soc; 2005 Jul; 127(26):9632-40. PubMed ID: 15984891
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
    Leis S; Zacharias M
    J Comput Chem; 2011 Dec; 32(16):3433-9. PubMed ID: 21919015
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 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. Use of an induced fit receptor structure in virtual screening.
    Sherman W; Beard HS; Farid R
    Chem Biol Drug Des; 2006 Jan; 67(1):83-4. PubMed ID: 16492153
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Optimization of high throughput virtual screening by combining shape-matching and docking methods.
    Lee HS; Choi J; Kufareva I; Abagyan R; Filikov A; Yang Y; Yoon S
    J Chem Inf Model; 2008 Mar; 48(3):489-97. PubMed ID: 18302357
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Combining docking and molecular dynamic simulations in drug design.
    Alonso H; Bliznyuk AA; Gready JE
    Med Res Rev; 2006 Sep; 26(5):531-68. PubMed ID: 16758486
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Normal mode-based approaches in receptor ensemble docking.
    Cavasotto CN
    Methods Mol Biol; 2012; 819():157-68. PubMed ID: 22183536
    [TBL] [Abstract][Full Text] [Related]  

  • 14. MADAMM: a multistaged docking with an automated molecular modeling protocol.
    Cerqueira NM; Bras NF; Fernandes PA; Ramos MJ
    Proteins; 2009 Jan; 74(1):192-206. PubMed ID: 18618708
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Predicting multiple ligand binding modes using self-consistent pharmacophore hypotheses.
    Wallach I; Lilien R
    J Chem Inf Model; 2009 Sep; 49(9):2116-28. PubMed ID: 19711952
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Managing protein flexibility in docking and its applications.
    B-Rao C; Subramanian J; Sharma SD
    Drug Discov Today; 2009 Apr; 14(7-8):394-400. PubMed ID: 19185058
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring.
    Yoon S; Welsh WJ
    J Chem Inf Comput Sci; 2004; 44(1):88-96. PubMed ID: 14741014
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Protein-ligand docking: current status and future challenges.
    Sousa SF; Fernandes PA; Ramos MJ
    Proteins; 2006 Oct; 65(1):15-26. PubMed ID: 16862531
    [TBL] [Abstract][Full Text] [Related]  

  • 19. In silico multi-filter screening approaches for developing novel beta-secretase inhibitors.
    Fujimoto T; Matsushita Y; Gouda H; Yamaotsu N; Hirono S
    Bioorg Med Chem Lett; 2008 May; 18(9):2771-5. PubMed ID: 18434150
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Binding estimation after refinement, a new automated procedure for the refinement and rescoring of docked ligands in virtual screening.
    Rastelli G; Degliesposti G; Del Rio A; Sgobba M
    Chem Biol Drug Des; 2009 Mar; 73(3):283-6. PubMed ID: 19207463
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.