These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

167 related items for PubMed ID: 24684745

  • 21. Assessing the Predictive Power of Relative Binding Free Energy Calculations for Test Cases Involving Displacement of Binding Site Water Molecules.
    Wahl J, Smieško M.
    J Chem Inf Model; 2019 Feb 25; 59(2):754-765. PubMed ID: 30640456
    [Abstract] [Full Text] [Related]

  • 22. Absolute binding free energy calculations of sparsomycin analogs to the bacterial ribosome.
    Ge X, Roux B.
    J Phys Chem B; 2010 Jul 29; 114(29):9525-39. PubMed ID: 20608691
    [Abstract] [Full Text] [Related]

  • 23. Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo.
    Ge Y, Melling OJ, Dong W, Essex JW, Mobley DL.
    J Comput Aided Mol Des; 2022 Oct 29; 36(10):767-779. PubMed ID: 36198874
    [Abstract] [Full Text] [Related]

  • 24. Molecular modeling of hydration in drug design.
    Mancera RL.
    Curr Opin Drug Discov Devel; 2007 May 29; 10(3):275-80. PubMed ID: 17554853
    [Abstract] [Full Text] [Related]

  • 25. 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
    [Abstract] [Full Text] [Related]

  • 26. Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase.
    Archontis G, Simonson T, Karplus M.
    J Mol Biol; 2001 Feb 16; 306(2):307-27. PubMed ID: 11237602
    [Abstract] [Full Text] [Related]

  • 27.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 28.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 29. 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
    [Abstract] [Full Text] [Related]

  • 30. Water Sites, Networks, And Free Energies with Grand Canonical Monte Carlo.
    Ross GA, Bodnarchuk MS, Essex JW.
    J Am Chem Soc; 2015 Dec 02; 137(47):14930-43. PubMed ID: 26509924
    [Abstract] [Full Text] [Related]

  • 31.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 32.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 33.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 34. Calculation of Thermodynamic Properties of Bound Water Molecules.
    Yang Y, Abdallah AHA, Lill MA.
    Methods Mol Biol; 2018 Dec 02; 1762():389-402. PubMed ID: 29594782
    [Abstract] [Full Text] [Related]

  • 35. Protein-ligand binding free energies from exhaustive docking.
    Purisima EO, Hogues H.
    J Phys Chem B; 2012 Jun 14; 116(23):6872-9. PubMed ID: 22432509
    [Abstract] [Full Text] [Related]

  • 36. 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 14; 9(3):172-82. PubMed ID: 12756610
    [Abstract] [Full Text] [Related]

  • 37. Method for computing protein binding affinity.
    Karney CF, Ferrara JE, Brunner S.
    J Comput Chem; 2005 Feb 14; 26(3):243-51. PubMed ID: 15614799
    [Abstract] [Full Text] [Related]

  • 38.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 39.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 40. A structural and energetics analysis of the binding of a series of N-acetylneuraminic-acid-based inhibitors to influenza virus sialidase.
    Taylor NR, von Itzstein M.
    J Comput Aided Mol Des; 1996 Jun 14; 10(3):233-46. PubMed ID: 8808739
    [Abstract] [Full Text] [Related]

    Page: [Previous] [Next] [New Search]
    of 9.