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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

276 related articles for article (PubMed ID: 28498675)

  • 21. Solvation forces on biomolecular structures: a comparison of explicit solvent and Poisson-Boltzmann models.
    Wagoner J; Baker NA
    J Comput Chem; 2004 Oct; 25(13):1623-9. PubMed ID: 15264256
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Comparison Study of Polar and Nonpolar Contributions to Solvation Free Energy.
    Izairi R; Kamberaj H
    J Chem Inf Model; 2017 Oct; 57(10):2539-2553. PubMed ID: 28880080
    [TBL] [Abstract][Full Text] [Related]  

  • 23. The SAMPL5 host-guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method.
    Yin J; Henriksen NM; Slochower DR; Gilson MK
    J Comput Aided Mol Des; 2017 Jan; 31(1):133-145. PubMed ID: 27638809
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Modeling loop reorganization free energies of acetylcholinesterase: a comparison of explicit and implicit solvent models.
    Olson MA
    Proteins; 2004 Dec; 57(4):645-50. PubMed ID: 15481087
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Generalized Born implicit solvent models for small molecule hydration free energies.
    Brieg M; Setzler J; Albert S; Wenzel W
    Phys Chem Chem Phys; 2017 Jan; 19(2):1677-1685. PubMed ID: 27995260
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Hydration free energies of amino acids: why side chain analog data are not enough.
    König G; Boresch S
    J Phys Chem B; 2009 Jul; 113(26):8967-74. PubMed ID: 19507836
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Hydration Free Energies of Polypeptides from Popular Implicit Solvent Models versus All-Atom Simulation Results Based on Molecular Quasichemical Theory.
    Adhikari RS; Parambathu AV; Chapman WG; Asthagiri DN
    J Phys Chem B; 2022 Nov; 126(46):9607-9616. PubMed ID: 36354351
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Hydration in discrete water. A mean field, cellular automata based approach to calculating hydration free energies.
    Setny P; Zacharias M
    J Phys Chem B; 2010 Jul; 114(26):8667-75. PubMed ID: 20552986
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Why Computed Protein Folding Landscapes Are Sensitive to the Water Model.
    Anandakrishnan R; Izadi S; Onufriev AV
    J Chem Theory Comput; 2019 Jan; 15(1):625-636. PubMed ID: 30514080
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Free energy landscape of protein folding in water: explicit vs. implicit solvent.
    Zhou R
    Proteins; 2003 Nov; 53(2):148-61. PubMed ID: 14517967
    [TBL] [Abstract][Full Text] [Related]  

  • 31. On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy.
    Levy RM; Zhang LY; Gallicchio E; Felts AK
    J Am Chem Soc; 2003 Aug; 125(31):9523-30. PubMed ID: 12889983
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydration.
    Genheden S; Mikulskis P; Hu L; Kongsted J; Söderhjelm P; Ryde U
    J Am Chem Soc; 2011 Aug; 133(33):13081-92. PubMed ID: 21728337
    [TBL] [Abstract][Full Text] [Related]  

  • 33. On the calculation of binding free energies using continuum methods: application to MHC class I protein-peptide interactions.
    Froloff N; Windemuth A; Honig B
    Protein Sci; 1997 Jun; 6(6):1293-301. PubMed ID: 9194189
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Evaluating the dynamics and electrostatic interactions of folded proteins in implicit solvents.
    Hua DP; Huang H; Roy A; Post CB
    Protein Sci; 2016 Jan; 25(1):204-18. PubMed ID: 26189497
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Rapid alchemical free energy calculation employing a generalized born implicit solvent model.
    Ostermeir K; Zacharias M
    J Phys Chem B; 2015 Jan; 119(3):968-75. PubMed ID: 25160060
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Small molecule solvation changes due to the presence of salt are governed by the cost of solvent cavity formation and dispersion.
    Li L; Fennell CJ; Dill KA
    J Chem Phys; 2014 Dec; 141(22):22D518. PubMed ID: 25494789
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 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; 53(10):2659-70. PubMed ID: 24032517
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Free energies of solvation in the context of protein folding: Implications for implicit and explicit solvent models.
    Cumberworth A; Bui JM; Gsponer J
    J Comput Chem; 2016 Mar; 37(7):629-40. PubMed ID: 26558440
    [TBL] [Abstract][Full Text] [Related]  

  • 39. How well does Poisson-Boltzmann implicit solvent agree with explicit solvent? A quantitative analysis.
    Tan C; Yang L; Luo R
    J Phys Chem B; 2006 Sep; 110(37):18680-7. PubMed ID: 16970499
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Proton binding to proteins: pK(a) calculations with explicit and implicit solvent models.
    Simonson T; Carlsson J; Case DA
    J Am Chem Soc; 2004 Apr; 126(13):4167-80. PubMed ID: 15053606
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 14.