| How does it really move? Recent progress in the investigation of protein nanosecond dynamics by NMR and simulation O Stenström, C Champion, M Lehner, G Bouvignies, S Riniker, F Ferrage Current Opinion in Structural Biology 77, 102459, 2022 | 22 | 2022 |
| Density artefacts at interfaces caused by multiple time-step effects in molecular dynamics simulations D Sidler, M Lehner, S Frasch, M Cristófol-Clough, S Riniker F1000Research 7, 2018 | 6 | 2018 |
| DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment MT Lehner, P Katzberger, N Maeder, CCG Schiebroek, J Teetz, ... Journal of Chemical Information and Modeling 63 (19), 6014-6028, 2023 | 5 | 2023 |
| Unraveling motion in proteins by combining NMR relaxometry and molecular dynamics simulations: A case study on ubiquitin C Champion, M Lehner, AA Smith, F Ferrage, N Bolik-Coulon, S Riniker The Journal of Chemical Physics 160 (10), 2024 | 3 | 2024 |
| lwreg: A Lightweight System for Chemical Registration and Data Storage GA Landrum, J Braun, P Katzberger, MT Lehner, S Riniker | 1 | 2024 |
| DASH Properties: Estimating Atomic and Molecular Properties from a Dynamic Attention-Based Substructure Hierarchy MT Lehner, P Katzberger, N Maeder, GA Landrum, S Riniker | | 2024 |
| DFT Wave Functions and Calculated Properties for the DASH Dataset S Riniker, M Lehner, P Katzberger | | 2024 |
| QM Dataset for MBIS Partial Charges: Training set for DASH partial charges S Riniker, M Lehner, P Katzberger ETH Zurich, 2023 | | 2023 |
| effects in molecular dynamics simulations [version 1; referees D Sidler, M Lehner, S Frasch, M Cristófol-Clough, S Riniker | | |
