Greener JG. Reversible molecular simulation for training classical and machine learning force fields, arXiv (2024) - link - code
Wang Y, Takaba K, Chen MS, Wieder M, Xu Y, Zhu T, Zhang JZH, Nagle A, Yu K, Wang X, Cole DJ, Rackers JA, Cho K, Greener JG, Eastman P, Martiniani S and Tuckerman ME. On the design space between molecular mechanics and machine learning force fields, arXiv (2024) - link
Yu CWH, Fischer ES, Greener JG, Yang J, Zhang Z, Freund SMV and Barford D. Molecular mechanism of Mad2 conformational conversion promoted by the Mad2-interaction motif of Cdc20, bioRxiv (2024) - link
Greener JG. Differentiable simulation to develop molecular dynamics force fields for disordered proteins, Chemical Science 15, 4897-4909 (2024) - link - code
Roesch E, Greener JG, MacLean AL, Nassar H, Rackauckas C, Holy TE and Stumpf MPH. Julia for biologists, Nature Methods 20, 655-664 (2023) - link
Greener JG and Jamali K. Fast protein structure searching using structure graph embeddings, bioRxiv (2022) - link - code
For earlier papers, see Google Scholar.