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- W2891168382 endingPage "1875" @default.
- W2891168382 startingPage "1864" @default.
- W2891168382 abstract "The key to nanoscale control of physical, chemical, and biological processes lies in well-founded models of noncovalent binding. Atomistic simulations probe the free-energy surface underlying molecular assembly processes in solution. Two examples of noncovalent binding studied by molecular dynamics simulations are discussed, the dimerization of a water-soluble perylene bisimide derivative in aqueous solution with a focus on the influence of solvent composition on the aggregation strength and the binding of 1-butanol to α-cyclodextrin at infinite dilution with the focus on the determination of method-independent binding free energies." @default.
- W2891168382 created "2018-09-27" @default.
- W2891168382 creator A5021105248 @default.
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- W2891168382 creator A5076790055 @default.
- W2891168382 creator A5079455776 @default.
- W2891168382 creator A5085371120 @default.
- W2891168382 date "2018-09-21" @default.
- W2891168382 modified "2023-09-27" @default.
- W2891168382 title "Insights into Noncovalent Binding Obtained from Molecular Dynamics Simulations" @default.
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