2 papers
cond-mat.soft2020
Can the roles of polar and non-polar moieties be reversed in non-polar solvents?
Cedrix J. Dongmo, Manuel Carrer, Marine Houvet +3
Using thermodynamics integration, we study the solvation free energy of 18 amino acid side chain equivalents in solvents with different polarity, ranging from the most polar water…
cond-mat.soft2020
Can Polarity-Inverted Surfactants Self-Assemble in Nonpolar Solvents
M. Carrer, T. Skrbic, S. L. Bore +3
We investigate the self-assembly process of a surfactant with inverted polarity in water and cyclohexane using both all-atom and coarse grained hybrid particle-field molecular dyna…