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Journal Abstract Search

409 related items for PubMed ID: 24999761

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  • 2. Assessing the performance of MM/PBSA and MM/GBSA methods. 3. The impact of force fields and ligand charge models.
    Xu L, Sun H, Li Y, Wang J, Hou T.
    J Phys Chem B; 2013 Jul 18; 117(28):8408-21. PubMed ID: 23789789
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  • 5. Assessing the performance of the MM/PBSA and MM/GBSA methods. 10. Impacts of enhanced sampling and variable dielectric model on protein-protein Interactions.
    Wang E, Weng G, Sun H, Du H, Zhu F, Chen F, Wang Z, Hou T.
    Phys Chem Chem Phys; 2019 Sep 21; 21(35):18958-18969. PubMed ID: 31453590
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  • 6. Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA-ligand complexes.
    Jiang D, Du H, Zhao H, Deng Y, Wu Z, Wang J, Zeng Y, Zhang H, Wang X, Wang E, Hou T, Hsieh CY.
    Phys Chem Chem Phys; 2024 Mar 27; 26(13):10323-10335. PubMed ID: 38501198
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  • 8. Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors.
    Ferrari AM, Degliesposti G, Sgobba M, Rastelli G.
    Bioorg Med Chem; 2007 Dec 15; 15(24):7865-77. PubMed ID: 17870536
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  • 9. Assessing the performance of MM/PBSA and MM/GBSA methods. 9. Prediction reliability of binding affinities and binding poses for protein-peptide complexes.
    Weng G, Wang E, Chen F, Sun H, Wang Z, Hou T.
    Phys Chem Chem Phys; 2019 May 15; 21(19):10135-10145. PubMed ID: 31062799
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  • 12. Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking.
    Hou T, Wang J, Li Y, Wang W.
    J Comput Chem; 2011 Apr 15; 32(5):866-77. PubMed ID: 20949517
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  • 17. Molecular recognition in a diverse set of protein-ligand interactions studied with molecular dynamics simulations and end-point free energy calculations.
    Wang B, Li L, Hurley TD, Meroueh SO.
    J Chem Inf Model; 2013 Oct 28; 53(10):2659-70. PubMed ID: 24032517
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