Marc T Lehner
5PUBLICATIONS
11CO-AUTHORS
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Publications (5)
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|Aug 15, 2024
DASH properties: Estimating atomic and molecular properties from a dynamic attention-based substructure hierarchy.Marc T Lehner, Paul Katzberger, Niels Maeder
|Aug 08, 2024
lwreg: A Lightweight System for Chemical Registration and Data Storage.Gregory A Landrum, Jessica Braun, Paul Katzberger
|Mar 11, 2024
Unraveling motion in proteins by combining NMR relaxometry and molecular dynamics simulations: A case study on ubiquitin.Candide Champion, Marc Lehner, Albert A Smith
|Sep 22, 2023
DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment.Marc T Lehner, Paul Katzberger, Niels Maeder
|Apr 23, 2019
Density artefacts at interfaces caused by multiple time-step effects in molecular dynamics simulations.Dominik Sidler, Marc Lehner, Simon Frasch
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Frequent Collaborators
5 joint publications
Sereina Riniker
3 joint publications
Paul Katzberger
3 joint publications
Gregory A Landrum
1 joint publications
Dominik Sidler
1 joint publications
Candide Champion
1 joint publications
Albert A Smith
1 joint publications
Fabien Ferrage
1 joint publications
Nicolas Bolik-Coulon
1 joint publications
Carl C G Schiebroek
1 joint publications
Jessica Braun
