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Journal Abstract Search

106 related items for PubMed ID: 33545001

  • 21. Temperature effect on the small-to-large crossover lengthscale of hydrophobic hydration.
    Djikaev YS, Ruckenstein E.
    J Chem Phys; 2013 Nov 14; 139(18):184709. PubMed ID: 24320293
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  • 25. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.
    Geerke DP, van Gunsteren WF.
    J Phys Chem B; 2007 Jun 14; 111(23):6425-36. PubMed ID: 17508737
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  • 28. Modeling molecular and ionic absolute solvation free energies with quasichemical theory bounds.
    Rogers DM, Beck TL.
    J Chem Phys; 2008 Oct 07; 129(13):134505. PubMed ID: 19045103
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  • 30. Rapid approximate calculation of water binding free energies in the whole hydration domain of (bio)macromolecules.
    Reif MM, Zacharias M.
    J Comput Chem; 2016 Jul 05; 37(18):1711-24. PubMed ID: 27185199
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  • 31. Quantifying how step-wise fluorination tunes local solute hydrophobicity, hydration shell thermodynamics and the quantum mechanical contributions of solute-water interactions.
    Robalo JR, Mendes de Oliveira D, Imhof P, Ben-Amotz D, Vila Verde A.
    Phys Chem Chem Phys; 2020 Oct 21; 22(40):22997-23008. PubMed ID: 33034325
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  • 34. A model for hydration of peptides and its application to the conformational analysis of terminally blocked amino acids and dipeptides.
    Némethy G, Hodes ZI, Scheraga HA.
    Proc Natl Acad Sci U S A; 1978 Dec 21; 75(12):5760-4. PubMed ID: 282601
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  • 37. 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 08; 114(26):8667-75. PubMed ID: 20552986
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  • 38. Quasichemical analysis of the cluster-pair approximation for the thermodynamics of proton hydration.
    Pollard T, Beck TL.
    J Chem Phys; 2014 Jun 14; 140(22):224507. PubMed ID: 24929407
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