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Pubmed for Handhelds

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Journal Abstract Search

396 related items for PubMed ID: 24549784

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  • 3. Molecular docking with ligand attached water molecules.
    Lie MA, Thomsen R, Pedersen CN, Schiøtt B, Christensen MH.
    J Chem Inf Model; 2011 Apr 25; 51(4):909-17. PubMed ID: 21452852
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  • 5. FDS: flexible ligand and receptor docking with a continuum solvent model and soft-core energy function.
    Taylor RD, Jewsbury PJ, Essex JW.
    J Comput Chem; 2003 Oct 25; 24(13):1637-56. PubMed ID: 12926007
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  • 7. Improving the scoring of protein-ligand binding affinity by including the effects of structural water and electronic polarization.
    Liu J, He X, Zhang JZ.
    J Chem Inf Model; 2013 Jun 24; 53(6):1306-14. PubMed ID: 23651068
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  • 13. WaterScore: a novel method for distinguishing between bound and displaceable water molecules in the crystal structure of the binding site of protein-ligand complexes.
    García-Sosa AT, Mancera RL, Dean PM.
    J Mol Model; 2003 Jun 24; 9(3):172-82. PubMed ID: 12756610
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  • 16. Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation.
    Takemura K, Guo H, Sakuraba S, Matubayasi N, Kitao A.
    J Chem Phys; 2012 Dec 07; 137(21):215105. PubMed ID: 23231264
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  • 17. Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 3. The free energy contribution of structural water molecules in HIV-1 protease complexes.
    Fornabaio M, Spyrakis F, Mozzarelli A, Cozzini P, Abraham DJ, Kellogg GE.
    J Med Chem; 2004 Aug 26; 47(18):4507-16. PubMed ID: 15317462
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