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Molecular Simulations of Thermodynamic Properties for the System α‐Cyclodextrin/Alcohol in Aqueous Solution*

, , , and . Chemie Ingenieur Technik, 89 (10): 1306-1314 (August 2017)
DOI: 10.1002/cite.201700057

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Molecular Simulations of Thermodynamic Properties for the System alpha-Cyclodextrin/Alcohol in Aqueous Solution, , , and . Chemie - Ingenieur - Technik, 89 (10): 1306-1314 (2017)Rotational barriers of carbamate-protected amine crosslinkers for hydrogels : A combined experimental and computational study, , , , , and . Journal of Physical Organic Chemistry, 32 (6): e3936 (2019)Molecular Simulations of Thermodynamic Properties for the System α‐Cyclodextrin/Alcohol in Aqueous Solution*, , , and . Chemie Ingenieur Technik, 89 (10): 1306-1314 (August 2017)Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution, , , and . The Journal of Physical Chemistry B, (December 2017)Biomolecular force fields probed by free energies of binding and solvation. Universität Stuttgart, Stuttgart, Dissertation, (2021)Calculation of binding affinities for linear alcohols to alpha-cyclodextrin by twin-system enveloping distribution sampling simulations, and . Fluid phase equilibria, (2016)Combining Molecular Dynamics and Machine Learning to Predict Self-Solvation Free Energies and Limiting Activity Coefficients, , , and . Journal of chemical information and modeling, 60 (11): 5319-5330 (2020)Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution, , , and . The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 122 (5): 1608-1626 (2018)Insights into Noncovalent Binding Obtained from Molecular Dynamics Simulations, , , , and . Chemie - Ingenieur - Technik, 90 (11, SI): 1864-1875 (2018)A Suite of Advanced Tutorials for the GROMOS Biomolecular Simulation Software Article v1.0, , , , , , and . Living Journal of Computational Molecular Science, (2020)