- Last Updated: Saturday, 10 September 2022 17:45
We identified a previously unknown PIP2 lipid binding site in the barrel-shaped Tubby protein that could help to understand various diseases.
Cool work from our former post-doc Sebastian Thallmair and his colleagues. Now published in Science Advances. DOI: 10.1126/sciadv.abp9471
- Last Updated: Thursday, 07 July 2022 07:42
The group of Matysiak has developed a Martini variant for foldable proteins ! Nice work: Sahoo et al. JCTC, in press.
Martini versus Charmm
- Last Updated: Monday, 27 June 2022 11:48
From the Risselada lab: a comparison between Martini 2, 3, and Charmm36 on the binding of amphipathic peptides to lipid bilayers. From the abstract: "We observed that Martini 3 qualitatively reproduces experimental trends while producing substantially lower (relative) binding free energies and shallower membrane insertion depths compared to atomistic simulations. In contrast, Martini 2 tends to overestimate (relative) binding free energies." For more details, see: van Hilten et al., JCTC 2022.
- Last Updated: Monday, 27 June 2022 11:40
Not to be missed for Martini aficionados: we wrote a perspective on twenty years of Martini development, describing the history, state-of-the art, and examples of diverse application areas.
"Two decades of Martini: Better beads, broader scope"
Nuclear pore complex
- Last Updated: Wednesday, 15 June 2022 14:25
Craving for large Martini's ?
Have a look at this paper, featuring Martini simulations of the nuclear pore complex, featuring hundreds of scaffold proteins embedded in a half-toroidal double membrane !
Mosalaganti et al., Science, 2022. DOI: 10.1126/science.abm950