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Journal Abstract Search

379 related items for PubMed ID: 28168752

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  • 6. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY, Zou X.
    Proteins; 2007 Feb 01; 66(2):399-421. PubMed ID: 17096427
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  • 7. Predicting protein conformational changes for unbound and homology docking: learning from intrinsic and induced flexibility.
    Chen H, Sun Y, Shen Y.
    Proteins; 2017 Mar 01; 85(3):544-556. PubMed ID: 27862345
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  • 8. Conformer selection and induced fit in flexible backbone protein-protein docking using computational and NMR ensembles.
    Chaudhury S, Gray JJ.
    J Mol Biol; 2008 Sep 12; 381(4):1068-87. PubMed ID: 18640688
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  • 9. Pushing the Backbone in Protein-Protein Docking.
    Kuroda D, Gray JJ.
    Structure; 2016 Oct 04; 24(10):1821-1829. PubMed ID: 27568930
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  • 10. Comparing three stochastic search algorithms for computational protein design: Monte Carlo, replica exchange Monte Carlo, and a multistart, steepest-descent heuristic.
    Mignon D, Simonson T.
    J Comput Chem; 2016 Jul 15; 37(19):1781-93. PubMed ID: 27197555
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  • 13. Dynamic Docking of Macrocycles in Bound and Unbound Protein Structures with DynaDock.
    Meixner M, Zachmann M, Metzler S, Scheerer J, Zacharias M, Antes I.
    J Chem Inf Model; 2022 Jul 25; 62(14):3426-3441. PubMed ID: 35796228
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  • 14. Applying conformational selection theory to improve crossdocking efficiency in 3-phosphoinositide dependent protein kinase-1.
    Kotasthane A, Mulakala C, Viswanadhan VN.
    Proteins; 2014 Mar 25; 82(3):436-51. PubMed ID: 23999908
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  • 15. Protein-protein docking with multiple residue conformations and residue substitutions.
    Lorber DM, Udo MK, Shoichet BK.
    Protein Sci; 2002 Jun 25; 11(6):1393-408. PubMed ID: 12021438
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  • 16. Docking multiple conformations of a flexible ligand into a protein binding site using NMR restraints.
    Zabell AP, Post CB.
    Proteins; 2002 Feb 15; 46(3):295-307. PubMed ID: 11835505
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  • 17. 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 27; 54(10):2697-717. PubMed ID: 25266271
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  • 18. Application of Monte Carlo-based receptor ensemble docking to virtual screening for GPCR ligands.
    Vilar S, Costanzi S.
    Methods Enzymol; 2013 Oct 27; 522():263-78. PubMed ID: 23374190
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  • 19. Constrained proper sampling of conformations of transition state ensemble of protein folding.
    Lin M, Zhang J, Lu HM, Chen R, Liang J.
    J Chem Phys; 2011 Feb 21; 134(7):075103. PubMed ID: 21341875
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  • 20. EDock: blind protein-ligand docking by replica-exchange monte carlo simulation.
    Zhang W, Bell EW, Yin M, Zhang Y.
    J Cheminform; 2020 May 27; 12(1):37. PubMed ID: 33430966
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