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Marc Lehner

3 results in Authors: Marc Lehner

Theoretical and Computational Chemistry

DASH Properties: Estimating Atomic and Molecular Properties from a Dynamic Attention-Based Substructure Hierarchy

Marc T. Lehner, Paul Katzberger, Niels Maeder, Gregory A. Landrum, Sereina Riniker

Version 1 posted 11 June 2024

294

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Theoretical and Computational Chemistry

Unraveling Motion in Proteins by Combining NMR Relaxometry and Molecular Dynamics Simulations: A Case Study on Ubiquitin

Candide Champion, Marc Lehner, Albert A. Smith, Fabien Ferrage, Sereina Riniker

Version 1 posted 22 November 2023

324

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Theoretical and Computational Chemistry

lwreg: A Lightweight System for Chemical Registration and Data Storage

Gregory A. Landrum, Jessica Braun, Paul Katzberger, Marc T. Lehner, Sereina Riniker

Version 1 posted 03 July 2024

728

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