“…75 OPLS-AA 76 force field is used to collect the topological parameters for the ammonium-based protein secondary structure stabilizer choline chloride and the protein denaturant urea, which is consistent with our recent works. 40,41,77 OPLS-AA performs quite well to reproduce experimentally verified physical properties. For example, in a very recent study, Doherty and Acevedo could reproduce physical properties like density, viscosity, surface tension and heat capacity of ChCl based DES that included urea too, for a wide range of temperature using the OPLS force field.…”