It's ligand-focussed day at the #CCPBioSim training week, and we've been using @openforcefield.org & @openmm.org to parameterise and run protein-ligand MD, and @mdanalysis.bsky.social & ProLIF for analysis! #compchem
Thanks to the students, lecturers and guest speakers who attended the 2025 #CCP5 Summer School over the last two weeks in Newcastle!We hope you had a good stay, and look forward to reading about the fantastic research you'll do with the methods you've learned! #compchem @cosec-ukri.bsky.social
In case you missed it over the new year, check out this great paper and open software package led by @finlayclark.bsky.social to help you automate your molecular simulation post-processing #compchem #chemsky
