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 *

175 related articles for article (PubMed ID: 27310667)

  • 1. Computing pKa Values in Different Solvents by Electrostatic Transformation.
    Rossini E; Netz RR; Knapp EW
    J Chem Theory Comput; 2016 Jul; 12(7):3360-9. PubMed ID: 27310667
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Proton solvation in protic and aprotic solvents.
    Rossini E; Knapp EW
    J Comput Chem; 2016 May; 37(12):1082-91. PubMed ID: 26786747
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
    Marenich AV; Cramer CJ; Truhlar DG
    J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Composite method for implicit representation of solvent in dimethyl sulfoxide and acetonitrile.
    Pomogaeva A; Chipman DM
    J Phys Chem A; 2015 May; 119(21):5173-80. PubMed ID: 25456158
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Free energy of solvation from molecular dynamics simulations for low dielectric solvents.
    Gonçalves PF; Stassen H
    J Comput Chem; 2003 Nov; 24(14):1758-65. PubMed ID: 12964194
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Development of a methodology to compute solvation free energies on the basis of the theory of energy representation for solutions represented with a polarizable force field.
    Suzuoka D; Takahashi H; Ishiyama T; Morita A
    J Chem Phys; 2012 Dec; 137(21):214503. PubMed ID: 23231247
    [TBL] [Abstract][Full Text] [Related]  

  • 8. SAMPL6: calculation of macroscopic pK
    Selwa E; Kenney IM; Beckstein O; Iorga BI
    J Comput Aided Mol Des; 2018 Oct; 32(10):1203-1216. PubMed ID: 30084080
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Accurate pKa determination for a heterogeneous group of organic molecules.
    Schmidt am Busch M; Knapp EW
    Chemphyschem; 2004 Oct; 5(10):1513-22. PubMed ID: 15535550
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Anchor points for the unified Brønsted acidity scale: the rCCC model for the calculation of standard Gibbs energies of proton solvation in eleven representative liquid media.
    Himmel D; Goll SK; Leito I; Krossing I
    Chemistry; 2011 May; 17(21):5808-26. PubMed ID: 21542031
    [TBL] [Abstract][Full Text] [Related]  

  • 11. p
    Aleksandrov A; Roux B; MacKerell AD
    J Chem Theory Comput; 2020 Jul; 16(7):4655-4668. PubMed ID: 32464053
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Empirical Conversion of p
    Rossini E; Bochevarov AD; Knapp EW
    ACS Omega; 2018 Feb; 3(2):1653-1662. PubMed ID: 31458485
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Cluster-continuum quasichemical theory calculation of the lithium ion solvation in water, acetonitrile and dimethyl sulfoxide: an absolute single-ion solvation free energy scale.
    Carvalho NF; Pliego JR
    Phys Chem Chem Phys; 2015 Oct; 17(40):26745-55. PubMed ID: 26395146
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models.
    Sundararaman R; Gunceler D; Arias TA
    J Chem Phys; 2014 Oct; 141(13):134105. PubMed ID: 25296782
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Absolute solvation free energy of Li+ and Na+ ions in dimethyl sulfoxide solution: a theoretical ab initio and cluster-continuum model study.
    Westphal E; Pliego JR
    J Chem Phys; 2005 Aug; 123(7):074508. PubMed ID: 16229602
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Accuracy of the microsolvation-continuum approach in computing the pK(a) and the free energies of formation of phosphate species in aqueous solution.
    Tang E; Di Tommaso D; de Leeuw NH
    Phys Chem Chem Phys; 2010 Nov; 12(41):13804-15. PubMed ID: 20862433
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Toward the accurate calculation of pKa values in water and acetonitrile.
    Muckerman JT; Skone JH; Ning M; Wasada-Tsutsui Y
    Biochim Biophys Acta; 2013; 1827(8-9):882-91. PubMed ID: 23567870
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Performance of the SMD and SM8 models for predicting solvation free energy of neutral solutes in methanol, dimethyl sulfoxide and acetonitrile.
    Zanith CC; Pliego JR
    J Comput Aided Mol Des; 2015 Mar; 29(3):217-24. PubMed ID: 25398641
    [TBL] [Abstract][Full Text] [Related]  

  • 20. SM6:  A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water Clusters.
    Kelly CP; Cramer CJ; Truhlar DG
    J Chem Theory Comput; 2005 Nov; 1(6):1133-52. PubMed ID: 26631657
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.