Computational Dataset for Polymer-Pharmaceutical Interactions: MD/MM-PBSA and DFT Resources for Molecularly Imprinted Polymer (MIP) Design. - David Visentin; Mario Lovric; Dejan Milenkovic 001; Robert Vianello; Zeljka Maglica; Kristina Tolic Cop; Dragana Mutavdzic Pavlovic (Data, 2025)