| Girsanov reweighting for metadynamics simulations L Donati, BG Keller The Journal of chemical physics 149 (7), 2018 | 56 | 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 | 30 | 2018 |
| Dynamical reweighting methods for Markov models S Kieninger, L Donati, BG Keller Current opinion in structural biology 61, 124-131, 2020 | 28 | 2020 |
| 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 | 18 | 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 |
| 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 |
| 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 | 8 | 2022 |
| Markov state models in drug design BG Keller, S Aleksic, L Donati Biomolecular simulations in structure-based drug discovery, 67, 2019 | 7 | 2019 |
| Assessing transition rates as functions of environmental variables L Donati, M Weber The Journal of Chemical Physics 157 (22), 2022 | 2 | 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 The Journal of Chemical Physics 160 (10), 2024 | | 2024 |
| Augmented ant colony algorithm for virtual drug discovery L Donati, K Fackeldey, M Weber Journal of Mathematical Chemistry 62 (2), 367-385, 2024 | | 2024 |
| The Kramers turnover in terms of a macro-state projection on phase space L Donati, C Schutte, M Weber https://arxiv.org/abs/2402.00211, 2024 | | 2024 |
| Accuracy of reaction coordinate based rate theories for modelling chemical reactions: insights from the thermal isomerization in retinal S Ghysbrecht, L Donati, BG Keller arXiv preprint arXiv:2312.12948, 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 BerlinPotvrđena adresa e-pošte na fu-berlin.de
