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 *

119 related articles for article (PubMed ID: 27546039)

  • 1. GLIMPSED: An Improved Docking Protocol for Cognate Docking.
    Rizzi A; Ciacci A; Capelli AM
    Mol Inform; 2016 Sep; 35(8-9):350-7. PubMed ID: 27546039
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock.
    Cleves AE; Jain AN
    J Comput Aided Mol Des; 2015 Jun; 29(6):485-509. PubMed ID: 25940276
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA.
    Greenidge PA; Kramer C; Mozziconacci JC; Sherman W
    J Chem Inf Model; 2014 Oct; 54(10):2697-717. PubMed ID: 25266271
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The Performance of Several Docking Programs at Reproducing Protein-Macrolide-Like Crystal Structures.
    Castro-Alvarez A; Costa AM; Vilarrasa J
    Molecules; 2017 Jan; 22(1):. PubMed ID: 28106755
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.
    Luo Q; Zhao L; Hu J; Jin H; Liu Z; Zhang L
    PLoS One; 2017; 12(2):e0171433. PubMed ID: 28196116
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Improved docking of polypeptides with Glide.
    Tubert-Brohman I; Sherman W; Repasky M; Beuming T
    J Chem Inf Model; 2013 Jul; 53(7):1689-99. PubMed ID: 23800267
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide.
    Repasky MP; Murphy RB; Banks JL; Greenwood JR; Tubert-Brohman I; Bhat S; Friesner RA
    J Comput Aided Mol Des; 2012 Jun; 26(6):787-99. PubMed ID: 22576241
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power.
    Wang Z; Sun H; Yao X; Li D; Xu L; Li Y; Tian S; Hou T
    Phys Chem Chem Phys; 2016 May; 18(18):12964-75. PubMed ID: 27108770
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Virtual fragment docking by Glide: a validation study on 190 protein-fragment complexes.
    Sándor M; Kiss R; Keseru GM
    J Chem Inf Model; 2010 Jun; 50(6):1165-72. PubMed ID: 20459088
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Use of experimental design to optimize docking performance: the case of LiGenDock, the docking module of LiGen, a new de novo design program.
    Beato C; Beccari AR; Cavazzoni C; Lorenzi S; Costantino G
    J Chem Inf Model; 2013 Jun; 53(6):1503-17. PubMed ID: 23590204
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Target-specific native/decoy pose classifier improves the accuracy of ligand ranking in the CSAR 2013 benchmark.
    Fourches D; Politi R; Tropsha A
    J Chem Inf Model; 2015 Jan; 55(1):63-71. PubMed ID: 25521713
    [TBL] [Abstract][Full Text] [Related]  

  • 13. S4MPLE--sampler for multiple protein-ligand entities: simultaneous docking of several entities.
    Hoffer L; Horvath D
    J Chem Inf Model; 2013 Jan; 53(1):88-102. PubMed ID: 23215156
    [TBL] [Abstract][Full Text] [Related]  

  • 14. farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods.
    Wang Z; Wang X; Li Y; Lei T; Wang E; Li D; Kang Y; Zhu F; Hou T
    Bioinformatics; 2019 May; 35(10):1777-1779. PubMed ID: 30329012
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment.
    Zhang X; Wong SE; Lightstone FC
    J Chem Inf Model; 2014 Jan; 54(1):324-37. PubMed ID: 24358939
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Multiple grid arrangement improves ligand docking with unknown binding sites: Application to the inverse docking problem.
    Ban T; Ohue M; Akiyama Y
    Comput Biol Chem; 2018 Apr; 73():139-146. PubMed ID: 29482137
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Surflex-Dock: Docking benchmarks and real-world application.
    Spitzer R; Jain AN
    J Comput Aided Mol Des; 2012 Jun; 26(6):687-99. PubMed ID: 22569590
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide.
    Alogheli H; Olanders G; Schaal W; Brandt P; Karlén A
    J Chem Inf Model; 2017 Feb; 57(2):190-202. PubMed ID: 28079375
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Is It Reliable to Use Common Molecular Docking Methods for Comparing the Binding Affinities of Enantiomer Pairs for Their Protein Target?
    Ramírez D; Caballero J
    Int J Mol Sci; 2016 Apr; 17(4):. PubMed ID: 27104528
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The application of statistical methods to cognate docking: a path forward?
    Hawkins PC; Kelley BP; Warren GL
    J Chem Inf Model; 2014 May; 54(5):1339-55. PubMed ID: 24773409
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.