| Girsanov reweighting for metadynamics simulations L Donati, BG Keller The Journal of chemical physics 149 (7), 2018 | 54 | 2018 |
| Girsanov reweighting for path ensembles and Markov state models L Donati, C Hartmann, BG Keller The Journal of chemical physics 146 (24), 2017 | 50 | 2017 |
| Estimation of the infinitesimal generator by square-root approximation L Donati, M Heida, BG Keller, M Weber Journal of Physics: Condensed Matter 30 (42), 425201, 2018 | 29 | 2018 |
| Dynamical reweighting methods for Markov models S Kieninger, L Donati, BG Keller Current opinion in structural biology 61, 124-131, 2020 | 25 | 2020 |
| An automatic adaptive importance sampling algorithm for molecular dynamics in reaction coordinates J Quer, L Donati, BG Keller, M Weber SIAM Journal on Scientific Computing 40 (2), A653-A670, 2018 | 17 | 2018 |
| Markov models from the Square Root Approximation of the Fokker-Planck equation: calculating the grid-dependent flux L Donati, M Weber, BG Keller https://iopscience.iop.org/article/10.1088/1361-648X/abd5f7/meta, 2020 | 15 | 2020 |
| The vibrational spectrum of the hydrated alanine-leucine peptide in the amide region from IR experiments and first principles calculations I Hassan, L Donati, T Stensitzki, BG Keller, K Heyne, P Imhof Chemical Physics Letters 698, 227-233, 2018 | 9 | 2018 |
| Markov state models in drug design BG Keller, S Aleksic, L Donati Biomolecular Simulations in Structure-Based Drug Discovery, 67, 2018 | 8 | 2018 |
| A review of Girsanov reweighting and of square root approximation for building molecular Markov state models L Donati, M Weber, BG Keller Journal of Mathematical Physics 63 (12), 2022 | 7 | 2022 |
| Assessing transition rates as functions of environmental variables L Donati, M Weber The Journal of Chemical Physics 157 (22), 2022 | 3 | 2022 |
| Reweighting methods for Molecular Dynamics L Donati Freie Universität Berlin, 2019 | 1 | 2019 |
| Tensor-SqRA: Modeling the Transition Rates of Interacting Molecular Systems in terms of Potential Energies A Sikorski, A Niknejad, M Weber, L Donati arXiv preprint arXiv:2311.09779, 2023 | | 2023 |
| Augmented ant colony algorithm for virtual drug discovery L Donati, K Fackeldey, M Weber Journal of Mathematical Chemistry, 1-19, 2023 | | 2023 |
| Efficient Estimation of Transition Rates as Functions of pH L Donati, M Weber Proceedings in Applied Mathematics & Mechanics, 2023 | | 2023 |
| PLANTS+: Improving Ant Colony Algorithms for Drug Design L Donati, K Fackeldey, M Weber https://doi.org/10.21203/rs.3.rs-2747350/v1, 2023 | | 2023 |
| Square Root Approximation of the Infinitesimal Generator for Molecular Systems L Donati, M Weber, B Keller Bulletin of the American Physical Society, 0 | | |
| Supplementary material for: The Vibrational Spectrum of the hydrated Alanine-Leucine Peptide in the Amide region from IR experiments and First Principles Calculation I Hassan, L Donati, T Stensitzki, BG Keller, K Heyne, P Imhof | | |
Bettina G. KellerProfessor of Theoretical Chemistry, Freie Universität BerlinVerified email at fu-berlin.de
