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PyPE_RESP: A Tool to Facilitate and Standardize Derivation of RESP Charges

Marco Lapsien1, Michele Bonus1, Lianne Gahan2

  • 1Institute for Pharmaceutical and Medicinal Chemistry & Bioeconomy Science Center (BioSC), Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany.

Journal of Chemical Information and Modeling
|April 26, 2025
PubMed

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