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Journal Abstract Search

185 related items for PubMed ID: 29193885

  • 1. AquaMMapS: An Alternative Tool to Monitor the Role of Water Molecules During Protein-Ligand Association.
    Cuzzolin A, Deganutti G, Salmaso V, Sturlese M, Moro S.
    ChemMedChem; 2018 Mar 20; 13(6):522-531. PubMed ID: 29193885
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  • 2. Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks.
    Rudling A, Orro A, Carlsson J.
    J Chem Inf Model; 2018 Feb 26; 58(2):350-361. PubMed ID: 29308882
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  • 3. Calculation of Thermodynamic Properties of Bound Water Molecules.
    Yang Y, Abdallah AHA, Lill MA.
    Methods Mol Biol; 2018 Feb 26; 1762():389-402. PubMed ID: 29594782
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  • 4. Incorporating replacement free energy of binding-site waters in molecular docking.
    Sun H, Zhao L, Peng S, Huang N.
    Proteins; 2014 Sep 26; 82(9):1765-76. PubMed ID: 24549784
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  • 5. Performance of MDockPP in CAPRI rounds 28-29 and 31-35 including the prediction of water-mediated interactions.
    Xu X, Qiu L, Yan C, Ma Z, Grinter SZ, Zou X.
    Proteins; 2017 Mar 26; 85(3):424-434. PubMed ID: 27802576
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  • 6. Dissecting the Influence of Protein Flexibility on the Location and Thermodynamic Profile of Explicit Water Molecules in Protein-Ligand Binding.
    Yang Y, Lill MA.
    J Chem Theory Comput; 2016 Sep 13; 12(9):4578-92. PubMed ID: 27494046
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  • 8. Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites.
    Masters MR, Mahmoud AH, Yang Y, Lill MA.
    J Chem Inf Model; 2018 Nov 26; 58(11):2183-2188. PubMed ID: 30289252
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  • 10. WATsite2.0 with PyMOL Plugin: Hydration Site Prediction and Visualization.
    Yang Y, Hu B, Lill MA.
    Methods Mol Biol; 2017 Nov 26; 1611():123-134. PubMed ID: 28451976
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  • 15. AutoDock-GIST: Incorporating Thermodynamics of Active-Site Water into Scoring Function for Accurate Protein-Ligand Docking.
    Uehara S, Tanaka S.
    Molecules; 2016 Nov 23; 21(11):. PubMed ID: 27886114
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  • 16. Can We Rely on Computational Predictions To Correctly Identify Ligand Binding Sites on Novel Protein Drug Targets? Assessment of Binding Site Prediction Methods and a Protocol for Validation of Predicted Binding Sites.
    Broomhead NK, Soliman ME.
    Cell Biochem Biophys; 2017 Mar 23; 75(1):15-23. PubMed ID: 27796788
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