| 10.1021/acs.jcim.4c01754 | Martignac: Computational Workflows for Reproducible, Traceable, and Composable Coarse-Grained Martini Simulations | Journal of Chemical Information and Modeling | 64 | 24 | 9413-9423 | 2024 | kinetic | model | simulation |
| 10.1063/5.0104914 | Broad chemical transferability in structure-based coarse-graining | The Journal of Chemical Physics | 157 | 10 | | 2022 | model | cg | coarsegrained |
| 10.1088/1361-648X/abe6e1 | Dynamical properties across different coarse-grained models for ionic liquids | Journal of Physics: Condensed Matter | 33 | 22 | 224001 | 2021 | model | cg | coarsegrained |
| 10.1063/5.0031249 | Coarse-grained conformational surface hopping: Methodology and transferability | The Journal of Chemical Physics | 153 | 21 | | 2020 | system | md | reactions |
| 10.1088/2632-2153/ab80b7 | Interpretable embeddings from molecular simulations using Gaussian mixture variational autoencoders | Machine Learning: Science and Technology | 1 | 1 | 015012 | 2020 | kinetic | model | simulation |
| 10.1063/1.5131105 | Direct route to reproducing pair distribution functions with coarse-grained models via transformed atomistic cross correlations | The Journal of Chemical Physics | 151 | 24 | | 2019 | model | cg | coarsegrained |
| 10.1063/1.5064808 | Automated detection of many-particle solvation states for accurate characterizations of diffusion kinetics | The Journal of Chemical Physics | 150 | 2 | | 2019 | kinetic | model | simulation |
| 10.1103/physrevlett.121.256002 | Accurate Structure-Based Coarse Graining Leads to Consistent Barrier-Crossing Dynamics | Physical Review Letters | 121 | 25 | | 2018 | system | md | reactions |
| 10.1063/1.5025125 | Structural-kinetic-thermodynamic relationships identified from physics-based molecular simulation models | The Journal of Chemical Physics | 148 | 20 | | 2018 | kinetic | model | simulation |
| 10.3390/computation6010021 | The Role of Conformational Entropy in the Determination of Structural-Kinetic Relationships for Helix-Coil Transitions | Computation | 6 | 1 | 21 | 2018 | twostate | analysis | cooperativity |
| 10.1140/epjst/e2016-60114-5 | Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields | The European Physical Journal Special Topics | 225 | 8-9 | 1373-1389 | 2016 | kinetic | model | simulation |
| 10.1063/1.4941455 | Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information | The Journal of Chemical Physics | 144 | 5 | | 2016 | kinetic | model | simulation |