Tim Hempel - Publications, H-index & Citations

Tim Hempel

department of mathematics and computer science

13H指数

37论文数

1.0K被引数

收录论文 10

发表时间

Simulations and active learning enable efficient identification of an experimentally-validated broad coronavirus inhibitor 模拟和主动学习能够实现高效识别一种实验验证的广谱冠状病毒抑制剂

Nature Communications

IF15.7

2025-07-29

OAAI

Katarina Elez; Tim Hempel; Jonathan H. Shrimp; Nicole Moor; Lluís Raich; Cheila Rocha; Robin Winter; Tuan Le; Stefan Pöhlmann; Markus Hoffmann; Matthew D. Hall; Frank Noé

Scalable emulation of protein equilibrium ensembles with generative deep learning 使用生成式深度学习对蛋白质平衡态集合的可扩展模拟

Science

IF45.8

2025-07-10

PREAI

Sarah Lewis; Tim Hempel; José Jiménez-Luna; Michael Gastegger; Yu Xie; Andrew Y. K. Foong; Victor García Satorras; Osama Abdin; Bastiaan S. Veeling; Iryna Zaporozhets; Yaoyi Chen; Soojung Yang; Adam E. Foster; Arne Schneuing; Jigyasa Nigam; Federico Barbero; Vincent Stimper; Andrew Campbell; Jason Yim; Marten Lienen; Yu Shi; Shuxin Zheng; Hannes Schulz; Usman Munir; Roberto Sordillo; Ryota Tomioka; Cecilia Clementi; Frank Noé

Markov field models: Scaling molecular kinetics approaches to large molecular machines

CURRENT OPINION IN STRUCTURAL BIOLOGY

IF7

2022-12-01

OAAI

Hempel, Tim; Olsson, Simon; Noe, Frank

Deep learning to decompose macromolecules into independent Markovian domains

NATURE COMMUNICATIONS

IF15.7

2022-11-19

OAAI

Mardt, Andreas; Hempel, Tim; Clementi, Cecilia; Noe, Frank

Deeptime: a Python library for machine learning dynamical models from time series data

MACHINE LEARNING-SCIENCE AND TECHNOLOGY

IF4.6

2021-12-10

OAAI

Hoffmann, Moritz; Scherer, Martin; Hempel, Tim; Mardt, Andreas; de Silva, Brian; Husic, Brooke E.; Klus, Stefan; Wu, Hao; Kutz, Nathan; Brunton, Steven L.; Noe, Frank

Independent Markov decomposition: Toward modeling kinetics of biomolecular complexes

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2021-07-28

OAAI

Hempel, Tim; del Razo, Mauricio J.; Lee, Christopher T.; Taylor, Bryn C.; Amaro, Rommie E.; Noe, Frank

Camostat mesylate inhibits SARS-CoV-2 activation by TMPRSS2-related proteases and its metabolite GBPA exerts antiviral activity Camostat甲磺酸盐抑制TMPRSS2-related蛋白酶的SARS-CoV-2激活及其代谢产物GBPA发挥抗病毒活性

EBIOMEDICINE

IF10.8

2021-03-01

189

OAAI

Hoffmann, Markus; Hofmann-Winkler, Heike; Smith, Joan C.; Krueger, Nadine; Arora, Prerna; Sorensen, Lambert K.; Sogaard, Ole S.; Hasselstrom, Jorgen Bo; Winkler, Michael; Hempel, Tim; Raich, Lluis; Olsson, Simon; Danov, Olga; Jonigk, Danny; Yamazoe, Takashi; Yamatsuta, Katsura; Mizuno, Hirotaka; Ludwig, Stephan; Noe, Frank; Kjolby, Mads; Braun, Armin; Sheltzer, Jason M.; Poehlmann, Stefan

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

CHEMICAL SCIENCE

IF7.4

2021-01-01

OAAI

Hempel, Tim; Elez, Katarina; Krueger, Nadine; Raich, Lluis; Shrimp, Jonathan H.; Danov, Olga; Jonigk, Danny; Braun, Armin; Shen, Min; Hall, Matthew D.; Poehlmann, Stefan; Hoffmann, Markus; Noe, Frank

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

CHEMICAL SCIENCE

IF7.4

2021-01-01

OAAI

Hempel, Tim; Raich, Lluis; Olsson, Simon; Azouz, Nurit P.; Klingler, Andrea M.; Hoffmann, Markus; Pohlmann, Stefan; Rothenberg, Marc E.; Noe, Frank

Coupling of Conformational Switches in Calcium Sensor Unraveled with Local Markov Models and Transfer Entropy

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-03-20

OAAI

Hempel, Tim; Plattner, Nuria; Noe, Frank

研究方向