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Journal Abstract Search

234 related items for PubMed ID: 21678965

  • 41. Calculation of Configurational Entropy Differences from Conformational Ensembles Using Gaussian Mixtures.
    Gyimesi G, Závodszky P, Szilágyi A.
    J Chem Theory Comput; 2017 Jan 10; 13(1):29-41. PubMed ID: 27958758
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  • 42. Molecular mechanics methods for predicting protein-ligand binding.
    Huang N, Kalyanaraman C, Bernacki K, Jacobson MP.
    Phys Chem Chem Phys; 2006 Nov 28; 8(44):5166-77. PubMed ID: 17203140
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  • 43. PSI-DOCK: towards highly efficient and accurate flexible ligand docking.
    Pei J, Wang Q, Liu Z, Li Q, Yang K, Lai L.
    Proteins; 2006 Mar 01; 62(4):934-46. PubMed ID: 16395666
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  • 44. Temperature dependence of the backbone dynamics of ribonuclease A in the ground state and bound to the inhibitor 5'-phosphothymidine (3'-5')pyrophosphate adenosine 3'-phosphate.
    Kovrigin EL, Cole R, Loria JP.
    Biochemistry; 2003 May 13; 42(18):5279-91. PubMed ID: 12731869
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  • 45. Configurational entropies of lipids in pure and mixed bilayers from atomic-level and coarse-grained molecular dynamics simulations.
    Baron R, de Vries AH, Hünenberger PH, van Gunsteren WF.
    J Phys Chem B; 2006 Aug 10; 110(31):15602-14. PubMed ID: 16884285
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  • 49. Evaluating the conformational entropy of macromolecules using an energy decomposition approach.
    Ohkubo YZ, Thorpe IF.
    J Chem Phys; 2006 Jan 14; 124(2):024910. PubMed ID: 16422651
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  • 53. Entropy localization in proteins.
    Li DW, Showalter SA, Brüschweiler R.
    J Phys Chem B; 2010 Dec 09; 114(48):16036-44. PubMed ID: 21077640
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  • 55. Computational study of ligand binding to protein receptors.
    Wembridge P, Robinson H, Novak I.
    Bioorg Chem; 2008 Dec 09; 36(6):288-94. PubMed ID: 18801553
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  • 59. Protein stability and ligand binding: new paradigms from in-silico experiments.
    Verma CS, Fischer S.
    Biophys Chem; 2005 Apr 01; 115(2-3):295-302. PubMed ID: 15752621
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  • 60. Thermodynamic resolution: how do errors in modeled protein structures affect binding affinity predictions?
    Singh MK, Dominy BN.
    Proteins; 2010 May 15; 78(7):1613-7. PubMed ID: 20201067
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