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Computational Dataset for Polymer-Pharmaceutical Interactions: MD/MM-PBSA and DFT Resources for Molecularly Imprinted Polymer (MIP) Design

David Visentin, Mario Lovric, Dejan Milenkovic 0001, Robert Vianello, Zeljka Maglica, Kristina Tolic Cop, Dragana Mutavdzic Pavlovic. Computational Dataset for Polymer-Pharmaceutical Interactions: MD/MM-PBSA and DFT Resources for Molecularly Imprinted Polymer (MIP) Design. Data, 10(12):205, 2025. [doi]

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