| Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019 | 772 | 2019 |
| Effects of α-tubulin acetylation on microtubule structure and stability L Eshun-Wilson, R Zhang, D Portran, MV Nachury, DB Toso, T Löhr, ... Proceedings of the National Academy of Sciences 116 (21), 10366-10371, 2019 | 316 | 2019 |
| Small-molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer’s disease GT Heller, FA Aprile, TCT Michaels, R Limbocker, M Perni, FS Ruggeri, ... Science advances 6 (45), eabb5924, 2020 | 127 | 2020 |
| A kinetic ensemble of the Alzheimer’s Aβ peptide T Löhr, K Kohlhoff, GT Heller, C Camilloni, M Vendruscolo Nature Computational Science 1 (1), 71-78, 2021 | 50 | 2021 |
| Pharmacokinetic properties of peptidic radiopharmaceuticals: reduced uptake of (EH) 3-conjugates in important organs M Eder, T Löhr, U Bauder-Wüst, M Reber, W Mier, M Schäfer, ... Journal of nuclear medicine 54 (8), 1327-1330, 2013 | 46 | 2013 |
| Metadynamic metainference: Convergence towards force field independent structural ensembles of a disordered peptide T Löhr, A Jussupow, C Camilloni The Journal of chemical physics 146 (16), 2017 | 44 | 2017 |
| A small molecule stabilises the disordered native state of the Alzheimer’s Aβ peptide T Löhr, K Kohlhoff, GT Heller, C Camilloni, M Vendruscolo | 34 | 2021 |
| Determination of intermediate state structures in the opening pathway of SARS-CoV-2 spike using cryo-electron microscopy ZF Brotzakis, T Löhr, M Vendruscolo Chemical Science, 2021 | 31 | 2021 |
| An intrinsically disordered motif regulates the interaction between the p47 adaptor and the p97 AAA+ ATPase AE Conicella, R Huang, ZA Ripstein, A Nguyen, E Wang, T Löhr, ... Proceedings of the National Academy of Sciences 117 (42), 26226-26236, 2020 | 28 | 2020 |
| Sample efficient reinforcement learning with active learning for molecular design M Dodds, J Guo, T Löhr, A Tibo, O Engkvist, JP Janet Chemical Science 15 (11), 4146, 2024 | 14 | 2024 |
| Determination of the structure and dynamics of the fuzzy coat of an amyloid fibril of IAPP using cryo-electron microscopy Z Faidon Brotzakis, T Löhr, S Truong, S Hoff, M Bonomi, M Vendruscolo Biochemistry 62 (16), 2407-2416, 2023 | 12 | 2023 |
| Conformational Entropy as a Potential Liability of Computationally Designed Antibodies T Löhr, P Sormanni, M Vendruscolo Biomolecules 12 (5), 718, 2022 | 12 | 2022 |
| A practical guide to the simultaneous determination of protein structure and dynamics using metainference T Löhr, C Camilloni, M Bonomi, M Vendruscolo Biomolecular Simulations: Methods and Protocols, 313-340, 2019 | 4 | 2019 |
| A brain‐seeded fibril amplification models the aggregation process of tau in Alzheimer’s disease for drug discovery A Santambrogio, M Metrick, T Löhr, R Horne, M Vendruscolo Alzheimer's & Dementia 19, e082750, 2023 | 1 | 2023 |
| Structure and Dynamics of Alzheimer's Associated Amyloid-Beta Peptide T Löhr, K Kohlhoff, G Heller, M Vendruscolo Biophysical Journal 116 (3), 437a, 2019 | 1 | 2019 |
| Estimation of ligand binding free energy using multi-eGO. B Stegani, E Scalone, FB Toplek, T Lohr, S Gianni, M Vendruscolo, ... | | 2024 |
| Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation T Löhr, M Dodds, L Cao, M Kabeshov, M Assante, JP Janet, M Klähn, ... arXiv preprint arXiv:2402.10064, 2024 | | 2024 |
| Kinetics of Disordered Proteins and their Interactions T Lohr | | 2022 |