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484 related items for PubMed ID: 21303099

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  • 43. Binding free energy contributions of interfacial waters in HIV-1 protease/inhibitor complexes.
    Lu Y, Yang CY, Wang S.
    J Am Chem Soc; 2006 Sep 13; 128(36):11830-9. PubMed ID: 16953623
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  • 44. Grand canonical Monte Carlo simulation of ligand-protein binding.
    Clark M, Guarnieri F, Shkurko I, Wiseman J.
    J Chem Inf Model; 2006 Sep 13; 46(1):231-42. PubMed ID: 16426059
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  • 45. Nonlinear scaling schemes for Lennard-Jones interactions in free energy calculations.
    Steinbrecher T, Mobley DL, Case DA.
    J Chem Phys; 2007 Dec 07; 127(21):214108. PubMed ID: 18067350
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  • 46. Determination of atomic desolvation energies from the structures of crystallized proteins.
    Zhang C, Vasmatzis G, Cornette JL, DeLisi C.
    J Mol Biol; 1997 Apr 04; 267(3):707-26. PubMed ID: 9126848
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  • 47. Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites.
    Laurie AT, Jackson RM.
    Bioinformatics; 2005 May 01; 21(9):1908-16. PubMed ID: 15701681
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  • 59. Fragment-based computation of binding free energies by systematic sampling.
    Clark M, Meshkat S, Talbot GT, Carnevali P, Wiseman JS.
    J Chem Inf Model; 2009 Aug 01; 49(8):1901-13. PubMed ID: 19610599
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  • 60. Electrostatics in proteins and protein-ligand complexes.
    Kukić P, Nielsen JE.
    Future Med Chem; 2010 Apr 01; 2(4):647-66. PubMed ID: 21426012
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