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Tim Hempel

7PUBLICATIONS

30CO-AUTHORS

Biomolecular modelling and designDeep learningStructure and dynamics of materialsCheminformatics and quantitative structure-activity relationshipsIntegrable systems (classical and quantum)

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Publications (7)

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|Jul 29, 2025

Simulations and active learning enable efficient identification of an experimentally-validated broad coronavirus inhibitor.

Katarina Elez, Tim Hempel, Jonathan H Shrimp

|Jul 10, 2025

Scalable emulation of protein equilibrium ensembles with generative deep learning.

Sarah Lewis, Tim Hempel, José Jiménez-Luna

|Nov 19, 2022

Deep learning to decompose macromolecules into independent Markovian domains.

Andreas Mardt, Tim Hempel, Cecilia Clementi

|Apr 06, 2022

Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with camostat and nafamostat.

Tim Hempel, Lluís Raich, Simon Olsson

|Oct 27, 2021

Synergistic inhibition of SARS-CoV-2 cell entry by otamixaban and covalent protease inhibitors: pre-clinical assessment of pharmacological and molecular properties.

Tim Hempel, Katarina Elez, Nadine Krüger

|Jul 29, 2021

Independent Markov decomposition: Toward modeling kinetics of biomolecular complexes.

Tim Hempel, Mauricio J Del Razo, Christopher T Lee

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Frequent Collaborators

5 joint publications

Frank Noé

3 joint publications

Markus Hoffmann

2 joint publications

Katarina Elez

2 joint publications

Stefan Pöhlmann

2 joint publications

Cecilia Clementi

1 joint publications

Christopher T Lee

1 joint publications

Rommie E Amaro

1 joint publications

Lluís Raich

1 joint publications

Simon Olsson

1 joint publications

Nurit P Azouz

Frequent Collaborators

5 joint publications

Frank Noé

3 joint publications

Markus Hoffmann

2 joint publications

Katarina Elez

2 joint publications

Stefan Pöhlmann

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