Johanna's paper on the protein hydration shell is online at JACS. Congratulations! Thanks to Philip Anfinrud and his team at NIH for a fruitful collaboration!
pubs.acs.org/doi/10.1021/...

BindFlow: A Free, User-Friendly Pipeline for Absolute Binding Free Energy Calculations Using Free Energy Perturbation or MM(PB/GB)SA We present BindFlow, a Python-based software for automated absolute binding free energy (ABFE) calculations at the free energy perturbation (FEP) or at the molecular mechanics Poisson–Boltzmann/genera...

Happy to share with our first post on Bluesky: Alejandro's paper on [BindFlow](doi.org/10.1021/acs....) is online on JCTC. Congratulations! If you like extremely convenient absolute binding free energy calculations, check the BindFlow [documentation](bindflow.readthedocs.io/en/latest/so...).