#forcefield — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #forcefield, aggregated by home.social.
-
New #preprint about PENSA, our flexible #OpenSource software package for comprehensive and thorough investigation of biomolecular conformational ensembles:
https://arxiv.org/abs/2212.02714
In three real-world examples, we show how it can be used to understand an #enzyme mechanism, #DNA #forcefield parameters, and #signaling in an #opioid #receptor.
Please share widely with the #MolecularDynamics #simulation #CompChem #MolBio #StructuralBiology #GPCR communities!
Feedback and ideas are always welcome.