PyPE_RESP: A Tool to Facilitate and Standardize Derivation of RESP Charges.
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| Title: | PyPE_RESP: A Tool to Facilitate and Standardize Derivation of RESP Charges. |
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| Authors: | Lapsien M; Institute for Pharmaceutical and Medicinal Chemistry & Bioeconomy Science Center (BioSC), Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany., Bonus M; Institute for Pharmaceutical and Medicinal Chemistry & Bioeconomy Science Center (BioSC), Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany., Gahan L; Institute for Computational Cell Biology & Bioeconomy Science Center (BioSC), Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany., Raguin A; Institute for Computational Cell Biology & Bioeconomy Science Center (BioSC), Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany., Gohlke H; Institute for Pharmaceutical and Medicinal Chemistry & Bioeconomy Science Center (BioSC), Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany.; Institute of Bio- and Geosciences (IBG-4: Bioinformatics), Forschungszentrum Jülich, 52425 Jülich, Germany. |
| Source: | Journal of chemical information and modeling [J Chem Inf Model] 2025 May 12; Vol. 65 (9), pp. 4251-4256. Date of Electronic Publication: 2025 Apr 26. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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