| EncoderMap: Dimensionality reduction and generation of molecule conformations T Lemke, C Peter Journal of chemical theory and computation 15 (2), 1209-1215, 2019 | 82 | 2019 |
| Neural network based prediction of conformational free energies-a new route toward coarse-grained simulation models T Lemke, C Peter Journal of chemical theory and computation 13 (12), 6213-6221, 2017 | 48 | 2017 |
| Long-spaced polyamides: Elucidating the gap between polyethylene crystallinity and hydrogen bonding P Ortmann, TA Lemke, S Mecking Macromolecules 48 (5), 1463-1472, 2015 | 42 | 2015 |
| The role of chloride ions during the formation of akaganéite revisited J Scheck, T Lemke, D Gebauer Minerals 5 (4), 778-787, 2015 | 31 | 2015 |
| Back-mapping based sampling: Coarse grained free energy landscapes as a guideline for atomistic exploration S Hunkler, T Lemke, C Peter, O Kukharenko The Journal of Chemical Physics 151 (15), 2019 | 18 | 2019 |
| Three reasons why aspartic acid and glutamic acid sequences have a surprisingly different influence on mineralization T Lemke, M Edte, D Gebauer, C Peter The Journal of Physical Chemistry B 125 (36), 10335-10343, 2021 | 17 | 2021 |
| EncoderMap (II): Visualizing important molecular motions with improved generation of protein conformations T Lemke, A Berg, A Jain, C Peter Journal of Chemical Information and Modeling 59 (11), 4550-4560, 2019 | 15 | 2019 |
| Efficient Sampling and Characterization of Free Energy Landscapes of Ion–Peptide Systems T Lemke, C Peter, O Kukharenko Journal of chemical theory and computation 14 (11), 5476-5488, 2018 | 13 | 2018 |
| Soluble oligomeric nucleants: simulations of chain length, binding strength, and volume fraction effects GG Poon, T Lemke, C Peter, V Molinero, B Peters The Journal of Physical Chemistry Letters 8 (23), 5815-5820, 2017 | 8 | 2017 |
| Simultaneous monitoring of macroscopic and microscopic diffusion of guest molecules in silica and organosilica aerogels by spatially and time-resolved electron paramagnetic … M Spitzbarth, M Wessig, T Lemke, A Schachtschneider, S Polarz, ... The Journal of Physical Chemistry C 119 (30), 17474-17479, 2015 | 6 | 2015 |
| In situ monitoring of diffusion of guest molecules in porous media using electron paramagnetic resonance imaging M Spitzbarth, T Lemke, M Drescher JoVE (Journal of Visualized Experiments), e54335, 2016 | 3 | 2016 |
| Using machine learning to find simplified representations of molecular systems T Lemke | | 2021 |
| Travelling through levels of resolution with machine-learning methods T Lemke, S Hunkler, O Kukharenko, C Peter ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Accelerated nucleation and polymorph selection with trace additives: Theory and simulation G Poon, T Lemke, C Peter, V Molinero, B Peters ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
