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The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

Expert opinion on drug discovery, 2015-05, Vol.10 (5), p.449-461

2015

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Preferential solvation of etoricoxib in some aqueous binary cosolvent mixtures at 298.15 K

Physics and chemistry of liquids, 2017-05, Vol.55 (3), p.291-303

2017

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Note on the physical basis of spatially resolved thermodynamic functions

Molecular simulation, 2022-09, Vol.48 (13), p.1186-1191

Persson, Rasmus A. X.

2022

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Solubility of sulphadiazine in some {Carbitol® (1) + water (2)} mixtures: determination, correlation, and preferential solvation

Physics and chemistry of liquids, 2021-11, Vol.59 (6), p.890-906

2021

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Which is the best food emerging solvent: IL, DES or NADES?

Trends in Food Science & Technology, 2019-08, Vol.90, p.133-146

2019

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On the solvation force of water-like fluid models with square-well attraction and site-site association in slit-like pores: density functional approach

Molecular physics, 2020-02, Vol.118 (4), p.1615647

2020

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Modelling of the thermodynamic and solvation properties of electrolyte solutions with the statistical associating fluid theory for potentials of variable range

Molecular physics, 2014-09, Vol.112 (17), p.2339-2364

2014

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Solubility of mesalazine in {acetonitrile + water} mixtures at various temperatures

Physics and chemistry of liquids, 2021-09, Vol.59 (5), p.690-705

2021

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Solubility of phenobarbital in aqueous cosolvent mixtures revisited: IKBI preferential solvation analysis

Physics and chemistry of liquids, 2017-07, Vol.55 (4), p.432-443

2017

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Quantifying solvation energies at solid/liquid interfaces using continuum solvation methods

Molecular simulation, 2017-04, Vol.43 (5-6), p.420-427

2017

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Important components for accurate hyperfine coupling constants: electron correlation, dynamic contributions, and solvation effects

Molecular physics, 2020-10, Vol.118 (19-20)

2020

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Solute-induced effects in solvation thermodynamics: does urea behave as a structure-making or structure-breaking solute?

Molecular physics, 2019-12, Vol.117 (23-24), p.3484-3492

2019

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Model binding experiments with cucurbit[7]uril and p-sulfonatocalix[4]arene support use of explicit solvation term in governing equation for binding equilibria

Supramolecular chemistry, 2023-02, Vol.34 (2), p.94-104

2023

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Baicalin solubility in aqueous co-solvent mixtures of methanol, ethanol, isopropanol and n-propanol revisited: solvent-solvent and solvent-solute interactions and IKBI preferential solvation analysis

Physics and chemistry of liquids, 2020-11, Vol.58 (6), p.820-832

2020

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An extended solvation theory for electrolyte osmotic and activity coefficients. Application to 1:1, 1:2, 1:3, 1:4, 2:1, 2:2, 3:1, 3:2 and 4:1 aqueous electrolyte solutions

Chemical engineering communications, 2023-11, Vol.210 (11), p.1885-1908

2023

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Towards a first principles prediction of pKa: COSMO-RS and the cluster-continuum approach

Molecular physics, 2010-10, Vol.108 (3-4), p.229-241

2010

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A systematic study of chloride ion solvation in water using van der Waals inclusive hybrid density functional theory

Molecular physics, 2015-09, Vol.113 (17-18), p.2842-2854

2015

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Non-equilibrium solvation dynamics: results beyond linear response theory

Molecular physics, 2020-12, Vol.118 (23), p.e1779365

2020

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Solvation of ions in helium

International reviews in physical chemistry, 2020-10, Vol.39 (4), p.465-516

2020

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Solubility of sulphadiazine in (acetonitrile + water) mixtures: measurement, correlation, thermodynamics and preferential solvation

Physics and chemistry of liquids, 2020-05, Vol.58 (3), p.381-396

2020

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Microsolvation of phenol in water: structures, hydration free energy and enthalpy

Molecular simulation, 2023-03, Vol.49 (4), p.403-414

2023

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Preferential solvation of 5,7-dihydroxyflavone (chrysin) in aqueous co-solvent mixtures of methanol and ethanol

Physics and chemistry of liquids, 2022-11, Vol.60 (6), p.931-942

2022

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Solubility and thermodynamics of lamotrigine in carbitol + water mixtures from T = (293.2 to 313.2) K

Chemical engineering communications, 2019-02, Vol.206 (2), p.182-192

2019

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Preferential solvation of methocarbamol in aqueous binary co-solvent mixtures at 298.15 K

Physics and chemistry of liquids, 2014-11, Vol.52 (6), p.726-737

2014

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Solubility, dissolution thermodynamics and preferential solvation of 4-nitroaniline in (ethanol + water) mixtures

Physics and chemistry of liquids, 2021-11, Vol.59 (6), p.956-968

2021

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The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

Preferential solvation of etoricoxib in some aqueous binary cosolvent mixtures at 298.15 K

Note on the physical basis of spatially resolved thermodynamic functions

Solubility of sulphadiazine in some {Carbitol® (1) + water (2)} mixtures: determination, correlation, and preferential solvation

Which is the best food emerging solvent: IL, DES or NADES?

On the solvation force of water-like fluid models with square-well attraction and site-site association in slit-like pores: density functional approach

Modelling of the thermodynamic and solvation properties of electrolyte solutions with the statistical associating fluid theory for potentials of variable range

Solubility of mesalazine in {acetonitrile + water} mixtures at various temperatures

Solubility of phenobarbital in aqueous cosolvent mixtures revisited: IKBI preferential solvation analysis

Quantifying solvation energies at solid/liquid interfaces using continuum solvation methods

Important components for accurate hyperfine coupling constants: electron correlation, dynamic contributions, and solvation effects

Solute-induced effects in solvation thermodynamics: does urea behave as a structure-making or structure-breaking solute?

Model binding experiments with cucurbit[7]uril and p-sulfonatocalix[4]arene support use of explicit solvation term in governing equation for binding equilibria

Baicalin solubility in aqueous co-solvent mixtures of methanol, ethanol, isopropanol and n-propanol revisited: solvent-solvent and solvent-solute interactions and IKBI preferential solvation analysis

An extended solvation theory for electrolyte osmotic and activity coefficients. Application to 1:1, 1:2, 1:3, 1:4, 2:1, 2:2, 3:1, 3:2 and 4:1 aqueous electrolyte solutions

Towards a first principles prediction of pKa: COSMO-RS and the cluster-continuum approach

A systematic study of chloride ion solvation in water using van der Waals inclusive hybrid density functional theory

Non-equilibrium solvation dynamics: results beyond linear response theory

Solvation of ions in helium

Solubility of sulphadiazine in (acetonitrile + water) mixtures: measurement, correlation, thermodynamics and preferential solvation

Microsolvation of phenol in water: structures, hydration free energy and enthalpy

Preferential solvation of 5,7-dihydroxyflavone (chrysin) in aqueous co-solvent mixtures of methanol and ethanol

Solubility and thermodynamics of lamotrigine in carbitol + water mixtures from T = (293.2 to 313.2) K

Preferential solvation of methocarbamol in aqueous binary co-solvent mixtures at 298.15 K

Solubility, dissolution thermodynamics and preferential solvation of 4-nitroaniline in (ethanol + water) mixtures

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