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PUBMED FOR HANDHELDS

Journal Abstract Search


264 related items for PubMed ID: 22183545

  • 1.
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  • 2. Calculation of absolute protein-ligand binding constants with the molecular dynamics free energy perturbation method.
    Woo HJ.
    Methods Mol Biol; 2008; 443():109-20. PubMed ID: 18446284
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  • 4. A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach.
    Estrada T, Zhang B, Cicotti P, Armen RS, Taufer M.
    Comput Biol Med; 2012 Jul; 42(7):758-71. PubMed ID: 22658682
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  • 6. Molecular recognition of RNA: challenges for modelling interactions and plasticity.
    Fulle S, Gohlke H.
    J Mol Recognit; 2010 Jul; 23(2):220-31. PubMed ID: 19941322
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  • 9. Incorporating receptor flexibility in the molecular design of protein interfaces.
    Li L, Liang S, Pilcher MM, Meroueh SO.
    Protein Eng Des Sel; 2009 Sep; 22(9):575-86. PubMed ID: 19643976
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  • 11. Molecular modeling of hydration in drug design.
    Mancera RL.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):275-80. PubMed ID: 17554853
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  • 13. Prediction of protein-ligand binding affinities using multiple instance learning.
    Teramoto R, Kashima H.
    J Mol Graph Model; 2010 Nov; 29(3):492-7. PubMed ID: 20965757
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  • 15. Accuracy assessment and automation of free energy calculations for drug design.
    Christ CD, Fox T.
    J Chem Inf Model; 2014 Jan 27; 54(1):108-20. PubMed ID: 24256082
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  • 16. Physics-based methods for studying protein-ligand interactions.
    Huang N, Jacobson MP.
    Curr Opin Drug Discov Devel; 2007 May 27; 10(3):325-31. PubMed ID: 17554859
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  • 17. Molecular Dynamics as a Tool for Virtual Ligand Screening.
    Menchon G, Maveyraud L, Czaplicki G.
    Methods Mol Biol; 2018 May 27; 1762():145-178. PubMed ID: 29594772
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  • 20. A water-swap reaction coordinate for the calculation of absolute protein-ligand binding free energies.
    Woods CJ, Malaisree M, Hannongbua S, Mulholland AJ.
    J Chem Phys; 2011 Feb 07; 134(5):054114. PubMed ID: 21303099
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