| 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 | 627 | 2019 |
| Molecular enhanced sampling with autoencoders: On‐the‐fly collective variable discovery and accelerated free energy landscape exploration W Chen, AL Ferguson Journal of computational chemistry 39 (25), 2079-2102, 2018 | 201 | 2018 |
| Collective variable discovery and enhanced sampling using autoencoders: Innovations in network architecture and error function design W Chen, AR Tan, AL Ferguson The Journal of chemical physics 149 (7), 2018 | 129 | 2018 |
| Nonlinear discovery of slow molecular modes using state-free reversible VAMPnets W Chen, H Sidky, AL Ferguson The Journal of chemical physics 150 (21), 2019 | 118 | 2019 |
| Machine learning for collective variable discovery and enhanced sampling in biomolecular simulation H Sidky, W Chen, AL Ferguson Molecular Physics 118 (5), e1737742, 2020 | 110 | 2020 |
| High-resolution Markov state models for the dynamics of Trp-cage miniprotein constructed over slow folding modes identified by state-free reversible VAMPnets H Sidky, W Chen, AL Ferguson The Journal of Physical Chemistry B 123 (38), 7999-8009, 2019 | 55 | 2019 |
| Molecular latent space simulators H Sidky, W Chen, AL Ferguson Chemical Science 11 (35), 9459-9467, 2020 | 45 | 2020 |
| Capabilities and limitations of time-lagged autoencoders for slow mode discovery in dynamical systems W Chen, H Sidky, AL Ferguson The Journal of Chemical Physics 151 (6), 2019 | 39 | 2019 |
| Molecular Latent Space Simulators A Ferguson, W Chen, H Sidky APS March Meeting Abstracts 2021, B26. 002, 2021 | | 2021 |
| Deep Learning of Low-Dimensional Latent Space Molecular Simulators H Sidky, W Chen, A Ferguson 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Deep Learning of Slow Collective Variables to Understand and Accelerate Biomolecular Folding and Assembly H Sidky, W Chen, A Ferguson 2019 AIChE Annual Meeting, 2019 | | 2019 |
| Molecular enhanced sampling with autoencoders: On-the-fly nonlinear collective variable discovery and accelerated free energy landscape exploration W Chen, A Ferguson APS March Meeting Abstracts 2018, R20. 004, 2018 | | 2018 |
Andrew L FergusonAssociate Professor of Molecular Engineering, University of ChicagoCorreu electrònic verificat a uchicago.edu
