Tim Hempel

Publication Activity (10 Years)

Years Active: 2020-2022
Publications (10 Years): 5

Top Topics

Molecular Dynamics Simulations

Respiratory Syndrome Coronavirus

Top Venues

Chemical science

Proceedings of the National Academy of Sciences of the United States of America

Nature communications

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Andreas Mardt, Tim Hempel, Cecilia Clementi, Frank Noé
Deep learning to decompose macromolecules into independent Markovian domains. Nature communications 13 (1) (2022)
Tim Hempel, Katarina Elez, Nadine Krüger, Lluís Raich, Jonathan H Shrimp, Olga Danov, Danny Jonigk, Armin Braun, Min Shen, Matthew D Hall, Stefan Pöhlmann, Markus Hoffmann, Frank Noé
Synergistic inhibition of SARS-CoV-2 cell entry by otamixaban and covalent protease inhibitors: pre-clinical assessment of pharmacological and molecular properties. Chemical science 12 (38) (2021)
Tim Hempel, Mauricio J Del Razo, Christopher T Lee, Bryn C Taylor, Rommie Elizabeth Amaro, Frank Noé
Independent Markov decomposition: Toward modeling kinetics of biomolecular complexes. Proceedings of the National Academy of Sciences of the United States of America 118 (31) (2021)
Tim Hempel, Lluís Raich, Simon Olsson, Nurit P Azouz, Andrea M Klingler, Markus Hoffmann, Stefan H Pöhlmann, Xiaoting Chen, Frank Noé
Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with camostat and nafamostat. Chemical science 12 (3) (2020)
Tim Hempel, Nuria Plattner, Frank Noé
Coupling of Conformational Switches in Calcium Sensor Unraveled with Local Markov Models and Transfer Entropy. Journal of chemical theory and computation 16 (4) (2020)