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Dive into the research topics where Marion Sappl is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Publications
- 4 Article
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AutoPocket2CREST: Automating Binding Pocket Extraction for the CREST Conformer Generation Pipeline
Fellinger, C. (Corresponding author), Sappl, M., Szabadi, A., Merget, B., Schleifer, K.-J. & Langer, T., 23 Mar 2026, In: Journal of Chemical Information and Modeling.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Specific ion effects on long-range correlations of amino acids in aqueous solution from experimental and computational dielectric spectra
Sappl, M., Fellinger, C., Elizabeth, A., Kanta, D., Prädel, L., Hunger, J., Schröder, C. & Balos, V. (Corresponding author), 14 Apr 2026, In: Journal of Chemical Physics. 164, 14, 144508.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Decomposition, interpretation and prediction of various ionic liquid solvation parameters: Kamlet-Taft, Catalán and Reichardt's ETN
Sappl, M., Gross, S., Hugger, P. T., D'Alessio, P., Palka, M., Felix Fritz, S., Fritz, S., Spange, S. & Schröder, C. (Corresponding author), 1 Jan 2025, In: Journal of Molecular Liquids. 417, 126646.Publications: Contribution to journal › Article › Peer Reviewed
Open Access
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Molecular Dynamics Simulations of Metal Organic Frameworks with Transferable Force Fields
Sappl, M. (Contributor)
25 Feb 2026Activity: Talks and presentations › Poster presentation › Science to Science
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Simulating Metal Organic Frameworks with Machine Learning Potentials for Spectroscopy
Sappl, M. (Contributor)
25 Sept 2025Activity: Talks and presentations › Poster presentation › Science to Science
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Terahertz spectroscopy of supercritical water – a molecular dynamics approach Ostravice Tschechnien
Sappl, M. (Contributor)
18 Jun 2025Activity: Talks and presentations › Talk or oral contribution › Science to Science