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 *

388 related articles for article (PubMed ID: 25233367)

  • 1. Assessing an ensemble docking-based virtual screening strategy for kinase targets by considering protein flexibility.
    Tian S; Sun H; Pan P; Li D; Zhen X; Li Y; Hou T
    J Chem Inf Model; 2014 Oct; 54(10):2664-79. PubMed ID: 25233367
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Feasibility of using molecular docking-based virtual screening for searching dual target kinase inhibitors.
    Zhou S; Li Y; Hou T
    J Chem Inf Model; 2013 Apr; 53(4):982-96. PubMed ID: 23506306
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Integrating ligand-based and protein-centric virtual screening of kinase inhibitors using ensembles of multiple protein kinase genes and conformations.
    Dixit A; Verkhivker GM
    J Chem Inf Model; 2012 Oct; 52(10):2501-15. PubMed ID: 22992037
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Development and evaluation of an integrated virtual screening strategy by combining molecular docking and pharmacophore searching based on multiple protein structures.
    Tian S; Sun H; Li Y; Pan P; Li D; Hou T
    J Chem Inf Model; 2013 Oct; 53(10):2743-56. PubMed ID: 24010823
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The impact of molecular dynamics sampling on the performance of virtual screening against GPCRs.
    Tarcsay A; Paragi G; Vass M; Jójárt B; Bogár F; Keserű GM
    J Chem Inf Model; 2013 Nov; 53(11):2990-9. PubMed ID: 24116387
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Nonlinear scoring functions for similarity-based ligand docking and binding affinity prediction.
    Brylinski M
    J Chem Inf Model; 2013 Nov; 53(11):3097-112. PubMed ID: 24171431
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Recent advances in structure-based drug design and virtual screening of VEGFR tyrosine kinase inhibitors.
    Hoi PM; Li S; Vong CT; Tseng HH; Kwan YW; Lee SM
    Methods; 2015 Jan; 71():85-91. PubMed ID: 25239735
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Generation of receptor structural ensembles for virtual screening using binding site shape analysis and clustering.
    Osguthorpe DJ; Sherman W; Hagler AT
    Chem Biol Drug Des; 2012 Aug; 80(2):182-93. PubMed ID: 22515569
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ensemble-based docking using biased molecular dynamics.
    Campbell AJ; Lamb ML; Joseph-McCarthy D
    J Chem Inf Model; 2014 Jul; 54(7):2127-38. PubMed ID: 24881672
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Importance of protein flexibility in ranking inhibitor affinities: modeling the binding mechanisms of piperidine carboxamides as Type I1/2 ALK inhibitors.
    Kong X; Pan P; Li D; Tian S; Li Y; Hou T
    Phys Chem Chem Phys; 2015 Feb; 17(8):6098-113. PubMed ID: 25644934
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors.
    Tripathi SK; Muttineni R; Singh SK
    J Theor Biol; 2013 Oct; 334():87-100. PubMed ID: 23727278
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. In silico insights into the identification of potential novel angiogenic inhibitors against human VEGFR-2: a new SAR-based hierarchical clustering approach.
    Konidala KK; Bommu UD; Pabbaraju N
    J Recept Signal Transduct Res; 2018 Aug; 38(4):372-383. PubMed ID: 30396316
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The ensemble performance index: an improved measure for assessing ensemble pose prediction performance.
    Korb O; McCabe P; Cole J
    J Chem Inf Model; 2011 Nov; 51(11):2915-9. PubMed ID: 21962010
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY; Zou X
    Proteins; 2007 Feb; 66(2):399-421. PubMed ID: 17096427
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations.
    Chohan TA; Chen JJ; Qian HY; Pan YL; Chen JZ
    Mol Biosyst; 2016 Apr; 12(4):1250-68. PubMed ID: 26883408
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations.
    Offutt TL; Swift RV; Amaro RE
    J Chem Inf Model; 2016 Oct; 56(10):1923-1935. PubMed ID: 27662181
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multi-conformer ensemble docking to difficult protein targets.
    Ellingson SR; Miao Y; Baudry J; Smith JC
    J Phys Chem B; 2015 Jan; 119(3):1026-34. PubMed ID: 25198248
    [TBL] [Abstract][Full Text] [Related]  

  • 19. How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis.
    Sperandio O; Mouawad L; Pinto E; Villoutreix BO; Perahia D; Miteva MA
    Eur Biophys J; 2010 Aug; 39(9):1365-72. PubMed ID: 20237920
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 20.