- Last Updated: Wednesday, 11 May 2022 18:27
- Last Updated: Friday, 15 April 2022 09:42
Improved parameters for IDPs
- Last Updated: Saturday, 09 April 2022 14:07
The group of Lindorff-Larsen performed a systematic study on the behavior of intrinsically disordered proteins (IDPs) with Martini 3. Comparing to SAXS data, they show that Martini 3 generally underestimates the global dimensions of the IDPs, which can be fixed by slightly increasing protein-water interactions. Although not an ideal solution, for the time being this seems like a pragmatic approach when modeling IDPs (as well as multi-domain proteins that are connected via flexible linkers) with Martini 3. For details, read the paper ! Thomasen et al, JCTC, 2022.
- Last Updated: Monday, 28 March 2022 11:58
No worries, Martini 3 is not too sticky, but 'Sticky Martini' here refers to a novel way of letting Martini beads stick together on purpose, to mimic chemical reactions. See the work of Carvalho et al., just published in Npj Computational Materials.
- Last Updated: Monday, 28 March 2022 11:51