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Marc T Lehner

5PUBLICATIONS

11CO-AUTHORS

Theoretical quantum chemistryFormal methods for softwareNonlinear optics and spectroscopyStructural biology (incl. macromolecular modelling)

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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

Frequent Collaborators

5 joint publications

Sereina Riniker

3 joint publications

Paul Katzberger

3 joint publications

Gregory A Landrum

1 joint publications

Dominik Sidler

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