"An automated calculation pipeline for differential pair interaction ..."

Felix Bänsch et al. (2024)

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DOI: 10.1186/S13321-024-00890-5

access: open

type: Journal Article

metadata version: 2025-01-19

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Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Achim Zielesny:
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package. J. Cheminformatics 16(1): 96 (2024)

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