Martini Retreat
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- Last Updated: Wednesday, 23 November 2022 18:13
Two weeks ago we had a wonderful meeting on Malta, uniting some of the core groups working on Martini development.
Sweet Martinis
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- Last Updated: Wednesday, 16 November 2022 18:31
Recently, two parameter sets for modeling carbohydrates with Martini 3 were published in JCTC.
One from the Plazinski group (pubs.acs.org/doi/full/10.1021/
We are looking forward to the appearance of many new Sweet Martinis ....
AI meets Martini
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- Last Updated: Tuesday, 01 November 2022 10:32
Impressive ! Discovering self-assembling pentapeptides, combining high-throughput Martini simulations with an AI workflow. The AI workflow outperforms human-based selection of optimal pentapeptide sequences from more than 3 million possible mutations. For details, see Batra et al., Nature Chem, 2022.
Lipid A binding to ABC transporter
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- Last Updated: Monday, 17 October 2022 14:39
Molecular dynamics simulations of the ABC transporter MsbA, performed by Lars Schäfer and coworkers, revealed that extensive lateral portal opening is essential to provide access of its large natural substrate core lipid A to the binding cavity.
Cool Martini stuff ! For details, see Galazzo et al., Science Advances (2022) 8,41. DOI: 10.1126/sciadv.abn6845
Tubby
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- 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
Foldable Martini
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- 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.
