Bender A, Thomas MC, Scannell JW, Shaywitz DA, Ghiandoni GM, Greener JG, Pruteanu L-L, Jacobson RD, Handa K, Hirano M, Seal S, Mahale M, Schmidt MF, Ahfeldt T, Grisoni F, Cortes-Ciriano I. Artificial intelligence in drug discovery — what it is, where we stand and the path forward, Nature Reviews Drug Discovery (2026) - link - open link
Greener JG. Where next for structural bioinformatics?, PLOS Biology 24(7), e3003903 (2026) - link - blog post
Blanco-González A*, Schulze TK*, Rovers E, Greener JG. Training a force field for proteins and small molecules from scratch, arXiv (2026) - link - code
Greener JG. Reversible molecular simulation for training classical and machine learning force fields, Proceedings of the National Academy of Sciences 122(22), e2426058122 (2025) - link - code
Greener JG and Jamali K. Fast protein structure searching using structure graph embeddings, Bioinformatics Advances 5:1, vbaf042 (2025) - link - code - server
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, Protein Science 34(4), e70099 (2025) - link
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, Applied Physics Reviews 12, 021304 (2025) - 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
For earlier papers, see Google Scholar.