Showing 1 - 20 results of 20 for search '"solvation free energy"', query time: 2.16s Refine Results
  1. 1
    Quantitative Prediction of Solvation Free Energy in Octanol of Organic Compounds
    by Eduardo J. Delgado, Gonzalo A. Jaña
    Published 2009-03-01
    Subjects: “...solvation free energy...”
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    Article
  2. 2
    Computational investigations of physicochemical, pharmacokinetic, toxicological properties and molecular docking of betulinic acid, a constituent of Corypha taliera (Roxb.) with Phospholipase A2 (PLA2)
    Subjects: “...Solvation free energy...”
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    Article
  3. 3
    Molecular mechanism of substrate selectivity of the arginine-agmatine Antiporter AdiC
    Subjects: “...Solvation Free Energy...”
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    Article
  4. 4
    Computational Study of Geometry, Solvation Free Energy, Dipole Moment, Polarizability, Hyperpolarizability and Molecular Properties of 2-Methylimidazole
    Subjects: “...Solvation free energy...”
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    Article
  5. 5
    Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly
    Subjects: “...solvation free energy...”
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    Article
  6. 6
    Investigating the effect of charge hydration asymmetry and incorporating it in continuum solvation framework
    by Mukhopadhyay, Abhishek
    Published 2016
    Subjects: “...solvation free energy...”
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  7. 7
    Role of Dispersion Attraction in Differential Geometry Based Nonpolar Solvation Models
    by Chen Zhan
    Published 2015-12-01
    Subjects: “...Solvation free energy...”
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    Article
  8. 8
    New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation terms
    by Choi Hwanho, Kang Hongsuk, Park Hwangseo
    Published 2013-02-01
    Subjects: “...Solvation free energy...”
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    Article
  9. 9
    Minimization and Eulerian Formulation of Differential Geormetry Based Nonpolar Multiscale Solvation Models
    by Chen Zhan
    Published 2016-12-01
    Subjects: “...Nonpolar solvation free energy...”
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    Article
  10. 10
    Free energy and enthalpy data of neutral and protonated clusters in the solvent phase
    by Alhadji Malloum, Jeanet Conradie
    Published 2021-08-01
    Subjects: “...Proton solvation free energy...”
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    Article
  11. 11
    Assessment of the SM12, SM8, and SMD Solvation Models for Predicting Limiting Activity Coefficients at 298.15 K
    Subjects: “...solvation free energy...”
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    Article
  12. 12
    A Computational Protocol Combining DFT and Cheminformatics for Prediction of pH-Dependent Redox Potentials
    by Rocco Peter Fornari, Piotr de Silva
    Published 2021-06-01
    Subjects: “...solvation free energy...”
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    Article
  13. 13
    Solvation Free Energy Simulation for Rosmarinic Acid Extraction from <i>Orthosiphon stamineus</i>
    by Cher Haan Lau, Lee Suan Chua
    Published 2019-07-01
    Subjects: “...solvation free energy...”
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    Article
  14. 14
    Quantifying the Stability of the Hydronium Ion in Organic Solvents With Molecular Dynamics Simulations
    by Alex K. Chew, Reid C. Van Lehn
    Published 2019-06-01
    Subjects: “...solvation free energy...”
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    Article
  15. 15
    Continuum electrostatics of biomolecular systems
    by Xin, W. (Weidong)
    Published 2008
    Subjects: “...solvation free energy...”
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    Doctoral Thesis
  16. 16
    Challenges in Computational Biochemistry: Solvation and Ligand Binding
    by Carlsson, Jens
    Published 2008
    Subjects: “...solvation free energy...”
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    Doctoral Thesis
  17. 17
    Computational Methods for Calculation of Ligand-Receptor Binding Affinities Involving Protein and Nucleic Acid Complexes
    by Almlöf, Martin
    Published 2007
    Subjects: “...solvation free energy...”
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    Doctoral Thesis
  18. 18
    Fully implicit ADI schemes for solving the nonlinear Poisson-Boltzmann equation
    by Geng Weihua, Zhao Shan
    Published 2013-04-01
    Subjects: “...solvation free energy...”
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    Article
  19. 19
    Solvatação em solventes puros e misturas binárias: fundamentos e aplicações
    by Priscilla Leandro Silva
    Published 2011
    Subjects: “... Equations of solvation free energy ...”
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  20. 20
    Solvatação em solventes puros e misturas binárias: fundamentos e aplicações
    by Silva, Priscilla Leandro
    Published 2011
    Subjects: “...Equations of solvation free energy...”
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