Fig. 5From: Preventing lipophilic aggregation in cosolvent molecular dynamics simulations with hydrophobic probes using Plumed Automatic Restraining Tool (PART)Overlap between HIV protease ligands and the calculated densities from a HIV protease cosolvent MD simulation with PART generated restraints. All grid points with GFE values ≤ −1.5 kcal/mol are shown as a mesh (green: hydrophobic, dark blue: donor, red: acceptor, orange: negatively charged, cyan: positively charged)Back to article page