Marc U Engelhardt

8PUBLICATIONS
20CO-AUTHORS
Biologically active moleculesBiomolecular modelling and designAtomic and molecular physicsTheoretical quantum chemistryCheminformatics and quantitative structure-activity relationships
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Publications (8)

|Jul 10, 2026
Chiral HPLC Separation of Phosphonothrixin and Phosphonate Derivatives and Electronic Circular Dichroism Characterization of the Isolated Enantiomers.

|May 25, 2026
Characterization of the Second-Generation Covalent Fragment Library (CovLib Gen2): Thiol Reactivity Profiling and p53-Y220C Rescue.

|Apr 14, 2026
Expanding and Enhancing Neural Network-Based QM-AI Models for the Accurate Prediction of Halogen-π Interaction Energies in Protein Contexts.

Marc U Engelhardt, Finn Mier, Markus O Zimmermann

|Nov 25, 2025
A QM-AI Approach for the Acceleration of Accurate Assessments of Halogen-π Interactions by Training Neural Networks.

Marc U Engelhardt, Finn Mier, Markus O Zimmermann

|Jun 09, 2025
Comparison of QM Methods for the Evaluation of Halogen-π Interactions for Large-Scale Data Generation.

Marc U Engelhardt, Markus O Zimmermann, Finn Mier

|Sep 18, 2024
Halogen Bonding on Water─A Drop in the Ocean?

Marc U Engelhardt, Markus O Zimmermann, Marcel Dammann

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Frequent Collaborators

8 joint publications

Frank M Boeckler

5 joint publications

Markus O Zimmermann

3 joint publications

Michael Lämmerhofer

3 joint publications

Jason Stahlecker