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 *

138 related articles for article (PubMed ID: 34291782)

  • 21. Solvation Energies of the Proton in Methanol.
    Fifen JJ; Nsangou M; Dhaouadi Z; Motapon O; Jaidane NE
    J Chem Theory Comput; 2013 Feb; 9(2):1173-81. PubMed ID: 26588760
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Solvation Thermodynamics of Solutes in Water and Ionic Liquids Using the Multiscale Solvation-Layer Interface Condition Continuum Model.
    Rahimi AM; Jamali S; Bardhan JP; Lustig SR
    J Chem Theory Comput; 2022 Sep; 18(9):5539-5558. PubMed ID: 36001344
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding.
    Katkova EV; Onufriev AV; Aguilar B; Sulimov VB
    J Mol Graph Model; 2017 Mar; 72():70-80. PubMed ID: 28064081
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Chemical Equilibrium of Zinc Acetate Complexes in Ethanol Solution. A Theoretical Description through Thermodynamic Cycles.
    Reyna-Luna J; Flores R; Gómez-Balderas R; Franco-Pérez M
    J Phys Chem B; 2020 Apr; 124(16):3355-3370. PubMed ID: 32216349
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Explicitly representing the solvation shell in continuum solvent calculations.
    da Silva EF; Svendsen HF; Merz KM
    J Phys Chem A; 2009 Jun; 113(22):6404-9. PubMed ID: 19425558
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Solvent Dependence of (14)N Nuclear Magnetic Resonance Chemical Shielding Constants as a Test of the Accuracy of the Computed Polarization of Solute Electron Densities by the Solvent.
    Ribeiro RF; Marenich AV; Cramer CJ; Truhlar DG
    J Chem Theory Comput; 2009 Sep; 5(9):2284-300. PubMed ID: 26616615
    [TBL] [Abstract][Full Text] [Related]  

  • 27. 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]  

  • 28. Relative complexation energies for Li(+) ion in solution: molecular level solvation versus polarizable continuum model study.
    Eilmes A; Kubisiak P
    J Phys Chem A; 2010 Jan; 114(2):973-9. PubMed ID: 20030307
    [TBL] [Abstract][Full Text] [Related]  

  • 29. 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]  

  • 30. A new solvent-dependent mechanism for a triazolinedione ene reaction.
    Acevedo O; Squillacote ME
    J Org Chem; 2008 Feb; 73(3):912-22. PubMed ID: 18161986
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation.
    Goncalves PF; Stassen H
    J Chem Phys; 2005 Dec; 123(21):214109. PubMed ID: 16356041
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Preferential solvation of metastable phases relevant to topological control within the synthesis of metal-organic frameworks.
    Yang X; Clark AE
    Inorg Chem; 2014 Sep; 53(17):8930-40. PubMed ID: 25144864
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and p
    Mirzaei S; Ivanov MV; Timerghazin QK
    J Phys Chem A; 2019 Nov; 123(44):9498-9504. PubMed ID: 31318553
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Single-ion solvation free energy: A new cluster-continuum approach based on the cluster expansion method.
    Rufino VC; Pliego JR
    Phys Chem Chem Phys; 2021 Dec; 23(47):26902-26910. PubMed ID: 34825676
    [TBL] [Abstract][Full Text] [Related]  

  • 35. 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]  

  • 36. Methods To Improve the Calculations of Solvation Model Density Solvation Free Energies and Associated Aqueous p
    Xu L; Coote ML
    J Phys Chem A; 2019 Aug; 123(34):7430-7438. PubMed ID: 31382743
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Solvation energies of ions with ensemble cluster-continuum approach.
    Tomaník L; Muchová E; Slavíček P
    Phys Chem Chem Phys; 2020 Oct; 22(39):22357-22368. PubMed ID: 32996504
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Cluster-Continuum Model as a Sanity Check of Sodium Ions' Gibbs Free Energies of Transfer.
    Otlyotov AA; Cavallo L; Minenkov Y
    Inorg Chem; 2022 Nov; 61(46):18365-18379. PubMed ID: 36343158
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Density Functional Calculations for Aqueous Silver Clusters Containing Water and Nitrate Ligands.
    Baetzold RC
    J Phys Chem B; 2019 Oct; 123(39):8300-8312. PubMed ID: 31478667
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Comparative Assessment of Computational Methods for Free Energy Calculations of Ionic Hydration.
    Zhang H; Jiang Y; Yan H; Cui Z; Yin C
    J Chem Inf Model; 2017 Nov; 57(11):2763-2775. PubMed ID: 29039666
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.