LATEST NEWS
Setting up some coarse grain LPS systems
- Details
- Last Updated: Monday, 18 September 2017 10:46
This is the first paper of a fresh PhD student in our lab (Bart). We are proud to say that we made it to the cover! In this paper we show that we can build intial structures for all kind of membrane motives using the CHARMM-GUI interface and the Martini CG force field.
, , , , , , , , , . J. Comput. Chem. 2017, 38, 2354–2363. DOI: 10.1002/jcc.24895
Go Martini
- Details
- Last Updated: Monday, 18 September 2017 10:39
Looking for a way to model foldable Martini proteins? Try Go Martini, a clever combination of Martini and Go potentials developed by the group of Theodorakis. Further details on the method can be found in the publication:
A.B. Poma, M. Cieplak, P.E. Theodorakis, JCTC, 13:1366–1374, 2017. DOI:10.1021/acs.jctc.6b00986
Crowds slow you down
- Details
- Last Updated: Monday, 18 September 2017 10:39
What happens to the famous Saffman-Delbruck model when your membrane is crowded with proteins ? Read all about it in this exciting new paper from the Vattulainen group, featuring Martini simulations of very crowded membranes:
Another fruitful Martini Workshop
- Details
- Last Updated: Monday, 18 September 2017 10:39
Cherish this picture, for it will contain some nobel price winners in the future!
Sticky sugars
- Details
- Last Updated: Monday, 18 September 2017 10:39
Be aware of the fact that self interactions of large biomolecules in Martini are sometimes too strong and may lead to arteficial aggregation - see for instance the recent work of the group of Sikora on polysaccharides:
P.S. Schmalhorst, F. Deluweit, R. Scherrers, C.P. Heisenberg, M. Sikora. JCTC, in press. DOI: 10.1021/acs.jctc.7b0037410.1021/acs.jctc.7b00374
Note: with the forthcomng release of Martini 3.0, we aim to resolve this issue !