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 *

111 related articles for article (PubMed ID: 22462609)

  • 1. Molecular docking using the molecular lipophilicity potential as hydrophobic descriptor: impact on GOLD docking performance.
    Nurisso A; Bravo J; Carrupt PA; Daina A
    J Chem Inf Model; 2012 May; 52(5):1319-27. PubMed ID: 22462609
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
    Perola E; Walters WP; Charifson PS
    Proteins; 2004 Aug; 56(2):235-49. PubMed ID: 15211508
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. 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]  

  • 5. FlexE: efficient molecular docking considering protein structure variations.
    Claussen H; Buning C; Rarey M; Lengauer T
    J Mol Biol; 2001 Apr; 308(2):377-95. PubMed ID: 11327774
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Detailed comparison of the protein-ligand docking efficiencies of GOLD, a commercial package and ArgusLab, a licensable freeware.
    Joy S; Nair PS; Hariharan R; Pillai MR
    In Silico Biol; 2006; 6(6):601-5. PubMed ID: 17518767
    [TBL] [Abstract][Full Text] [Related]  

  • 7. PLATINUM: a web tool for analysis of hydrophobic/hydrophilic organization of biomolecular complexes.
    Pyrkov TV; Chugunov AO; Krylov NA; Nolde DE; Efremov RG
    Bioinformatics; 2009 May; 25(9):1201-2. PubMed ID: 19244385
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ligand-specific scoring functions: improved ranking of docking solutions.
    Pyrkov TV; Priestle JP; Jacoby E; Efremov RG
    SAR QSAR Environ Res; 2008; 19(1-2):91-9. PubMed ID: 18311637
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes.
    Li X; Li Y; Cheng T; Liu Z; Wang R
    J Comput Chem; 2010 Aug; 31(11):2109-25. PubMed ID: 20127741
    [TBL] [Abstract][Full Text] [Related]  

  • 10. MLP Tools: a PyMOL plugin for using the molecular lipophilicity potential in computer-aided drug design.
    Oberhauser N; Nurisso A; Carrupt PA
    J Comput Aided Mol Des; 2014 May; 28(5):587-96. PubMed ID: 24777339
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Comparative assessment of scoring functions on a diverse test set.
    Cheng T; Li X; Li Y; Liu Z; Wang R
    J Chem Inf Model; 2009 Apr; 49(4):1079-93. PubMed ID: 19358517
    [TBL] [Abstract][Full Text] [Related]  

  • 12. pso@autodock: a fast flexible molecular docking program based on Swarm intelligence.
    Namasivayam V; Günther R
    Chem Biol Drug Des; 2007 Dec; 70(6):475-84. PubMed ID: 17986206
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular docking.
    Morris GM; Lim-Wilby M
    Methods Mol Biol; 2008; 443():365-82. PubMed ID: 18446297
    [TBL] [Abstract][Full Text] [Related]  

  • 14. AcquaAlta: a directional approach to the solvation of ligand-protein complexes.
    Rossato G; Ernst B; Vedani A; Smiesko M
    J Chem Inf Model; 2011 Aug; 51(8):1867-81. PubMed ID: 21714532
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ph4Dock: pharmacophore-based protein-ligand docking.
    Goto J; Kataoka R; Hirayama N
    J Med Chem; 2004 Dec; 47(27):6804-11. PubMed ID: 15615529
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Correlation between performance of QM/MM docking and simple classification of binding sites.
    Chung JY; Hah JM; Cho AE
    J Chem Inf Model; 2009 Oct; 49(10):2382-7. PubMed ID: 19799409
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Estimating protein-ligand binding free energy: atomic solvation parameters for partition coefficient and solvation free energy calculation.
    Pei J; Wang Q; Zhou J; Lai L
    Proteins; 2004 Dec; 57(4):651-64. PubMed ID: 15390269
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Diverse, high-quality test set for the validation of protein-ligand docking performance.
    Hartshorn MJ; Verdonk ML; Chessari G; Brewerton SC; Mooij WT; Mortenson PN; Murray CW
    J Med Chem; 2007 Feb; 50(4):726-41. PubMed ID: 17300160
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A multivariate approach to investigate docking parameters' effects on docking performance.
    Andersson CD; Thysell E; Lindström A; Bylesjö M; Raubacher F; Linusson A
    J Chem Inf Model; 2007; 47(4):1673-87. PubMed ID: 17559207
    [TBL] [Abstract][Full Text] [Related]  

  • 20. FlexX-Scan: fast, structure-based virtual screening.
    Schellhammer I; Rarey M
    Proteins; 2004 Nov; 57(3):504-17. PubMed ID: 15382244
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.