Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations
A Idrissi, BA Marekha, M Barj, FA Miannay… - The Journal of …, 2017 - pubs.aip.org
The information about the structure of dimethyl sulfoxide (DMSO)-water mixtures at relatively
low DMSO mole fractions is an important step in order to understand their cryoprotective
properties as well as the solvation process of proteins and amino acids. Classical MD
simulations, using the potential model combination that best reproduces the free energy of
mixing of these compounds, are used to analyze the local structure of DMSO-water mixtures
at DMSO mole fractions below 0.2. Significant changes in the local structure of DMSO are …
low DMSO mole fractions is an important step in order to understand their cryoprotective
properties as well as the solvation process of proteins and amino acids. Classical MD
simulations, using the potential model combination that best reproduces the free energy of
mixing of these compounds, are used to analyze the local structure of DMSO-water mixtures
at DMSO mole fractions below 0.2. Significant changes in the local structure of DMSO are …
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