This work presents a study on the effects of periodic boundary conditions (PBC) on the energetic/structural properties and hydrogen bond dynamics (HB) using molecular dynamics …
M Minaeian, FS Miraskarshahi, A Kordzadeh - 2024 - researchsquare.com
The co-loading of melittin (MLT) and doxorubicin (DOX) on polyethylene glycol (PEG) at different molar ratios was investigated with molecular dynamics (MD) simulation. The …