Fig. 3. (A) Average number of hydrogen bonds formed between drug molecules and the mPEG-b-PJL, mPEG-b-PJL-COOH or Soluplus® polymers during a 500 ns-long molecular dynamics (MD) simulation. The values are averaged over the entire simulation trajectory. (B) The total interaction energy calculated as the sum of electrostatic and van der Waals interactions between the different polymers and drug molecules during a 500 ns-long MD simulation. The values are averaged over the entire simulation trajectory.
