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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.
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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  Data: <searchLink fieldCode="AU" term="%22Lapsien+M%22">Lapsien M</searchLink>; Institute for Pharmaceutical and Medicinal Chemistry & Bioeconomy Science Center (BioSC), Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany.<br /><searchLink fieldCode="AU" term="%22Bonus+M%22">Bonus M</searchLink>; Institute for Pharmaceutical and Medicinal Chemistry & Bioeconomy Science Center (BioSC), Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany.<br /><searchLink fieldCode="AU" term="%22Gahan+L%22">Gahan L</searchLink>; Institute for Computational Cell Biology & Bioeconomy Science Center (BioSC), Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany.<br /><searchLink fieldCode="AU" term="%22Raguin+A%22">Raguin A</searchLink>; Institute for Computational Cell Biology & Bioeconomy Science Center (BioSC), Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany.<br /><searchLink fieldCode="AU" term="%22Gohlke+H%22">Gohlke H</searchLink>; 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.
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        Value: 10.1021/acs.jcim.5c00041
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              Text: 2025 May 12
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