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 *

176 related articles for article (PubMed ID: 16480309)

  • 21. Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential.
    Jiao D; Zhang J; Duke RE; Li G; Schnieders MJ; Ren P
    J Comput Chem; 2009 Aug; 30(11):1701-11. PubMed ID: 19399779
    [TBL] [Abstract][Full Text] [Related]  

  • 22. The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators.
    Gallicchio E; Zhang LY; Levy RM
    J Comput Chem; 2002 Apr; 23(5):517-29. PubMed ID: 11948578
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Self-Consistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges.
    Marenich AV; Olson RM; Kelly CP; Cramer CJ; Truhlar DG
    J Chem Theory Comput; 2007 Nov; 3(6):2011-33. PubMed ID: 26636198
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Hydrogen bonding, solvation, and hydrolysis of cisplatin: a theoretical study.
    Robertazzi A; Platts JA
    J Comput Chem; 2004 Jun; 25(8):1060-7. PubMed ID: 15067681
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Predicting Solvent Effects on S
    Taylor M; Yu H; Ho J
    J Phys Chem B; 2022 Nov; 126(44):9047-9058. PubMed ID: 36300819
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent Model.
    Shivakumar D; Deng Y; Roux B
    J Chem Theory Comput; 2009 Apr; 5(4):919-30. PubMed ID: 26609601
    [TBL] [Abstract][Full Text] [Related]  

  • 27. The importance of excluded solvent volume effects in computing hydration free energies.
    Yang PK; Lim C
    J Phys Chem B; 2008 Nov; 112(47):14863-8. PubMed ID: 18956834
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.
    Vorobjev YN; Almagro JC; Hermans J
    Proteins; 1998 Sep; 32(4):399-413. PubMed ID: 9726412
    [TBL] [Abstract][Full Text] [Related]  

  • 29. A new set of atomic radii for accurate estimation of solvation free energy by Poisson-Boltzmann solvent model.
    Yamagishi J; Okimoto N; Morimoto G; Taiji M
    J Comput Chem; 2014 Nov; 35(29):2132-9. PubMed ID: 25220475
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Footprinting molecular electrostatic potential surfaces for calculation of solvation energies.
    Calero CS; Farwer J; Gardiner EJ; Hunter CA; Mackey M; Scuderi S; Thompson S; Vinter JG
    Phys Chem Chem Phys; 2013 Nov; 15(41):18262-73. PubMed ID: 24064723
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules.
    Roggatz CC; Lorch M; Benoit DM
    J Chem Theory Comput; 2018 May; 14(5):2684-2695. PubMed ID: 29566332
    [TBL] [Abstract][Full Text] [Related]  

  • 32. 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]  

  • 33. Computational 17O-NMR spectroscopy of organic acids and peracids: comparison of solvation models.
    Baggioli A; Crescenzi O; Field MJ; Castiglione F; Raos G
    Phys Chem Chem Phys; 2013 Jan; 15(4):1130-40. PubMed ID: 23223608
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell.
    Liu J; Kelly CP; Goren AC; Marenich AV; Cramer CJ; Truhlar DG; Zhan CG
    J Chem Theory Comput; 2010 Mar; 6(4):1109-1117. PubMed ID: 20419072
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Thermodynamics of helix formation in small peptides of varying length in vacuo, in implicit solvent, and in explicit solvent.
    Wang X; Deng B; Sun Z
    J Mol Model; 2018 Dec; 25(1):3. PubMed ID: 30542771
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Anisotropic solvent model of the lipid bilayer. 1. Parameterization of long-range electrostatics and first solvation shell effects.
    Lomize AL; Pogozheva ID; Mosberg HI
    J Chem Inf Model; 2011 Apr; 51(4):918-29. PubMed ID: 21438609
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Accurate aqueous proton dissociation constants calculations for selected angiotensin-converting enzyme inhibitors.
    Sramko M; Smiesko M; Remko M
    J Biomol Struct Dyn; 2008 Jun; 25(6):599-608. PubMed ID: 18399693
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Theoretical study of the enol imine <--> enaminone tautomeric equilibrium in organic solvents.
    Nagy PI; Fabian WM
    J Phys Chem B; 2006 Dec; 110(49):25026-32. PubMed ID: 17149926
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Comparison of charge models for fixed-charge force fields: small-molecule hydration free energies in explicit solvent.
    Mobley DL; Dumont E; Chodera JD; Dill KA
    J Phys Chem B; 2007 Mar; 111(9):2242-54. PubMed ID: 17291029
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Calculation of solvation free energies of charged solutes using mixed cluster/continuum models.
    Bryantsev VS; Diallo MS; Goddard WA
    J Phys Chem B; 2008 Aug; 112(32):9709-19. PubMed ID: 18646800
    [TBL] [Abstract][Full Text] [Related]  

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