Outputs (4)

Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism (2013)
Journal Article
Degiacomi, M., Iacovache, I., Pernot, L., Chami, M., Kudryashev, M., Stahlberg, H., …Dal Peraro, M. (2013). Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism. Nature Chemical Biology, 9(10), 623-629. https://doi.org/10.1038/nchembio.1312

Aerolysin is the founding member of a superfamily of β-pore–forming toxins whose pore structure is unknown. We have combined X-ray crystallography, cryo-EM, molecular dynamics and computational modeling to determine the structures of aerolysin mutant... Read More about Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.

In situ structural analysis of the Yersinia enterocolitica injectisome (2013)
Journal Article
Kudryashev, M., Stenta, M., Schmelz, S., Amstutz, M., Wiesand, U., Castaño-Díez, D., …Stahlberg, H. (2013). In situ structural analysis of the Yersinia enterocolitica injectisome. eLife, 2013(2), Article e00792. https://doi.org/10.7554/elife.00792

Injectisomes are multi-protein transmembrane machines allowing pathogenic bacteria to inject effector proteins into eukaryotic host cells, a process called type III secretion. Here we present the first three-dimensional structure of Yersinia enteroco... Read More about In situ structural analysis of the Yersinia enterocolitica injectisome.

Macromolecular symmetric assembly prediction using swarm intelligence dynamic modeling (2013)
Journal Article
Degiacomi, M., & Dal Peraro, M. (2013). Macromolecular symmetric assembly prediction using swarm intelligence dynamic modeling. Structure, 21(7), 1097-1106. https://doi.org/10.1016/j.str.2013.05.014

Proteins often assemble in multimeric complexes to perform a specific biologic function. However, trapping these high-order conformations is difficult experimentally. Therefore, predicting how proteins assemble using in silico techniques can be of gr... Read More about Macromolecular symmetric assembly prediction using swarm intelligence dynamic modeling.

Electrostatic-consistent coarse-grained potentials for molecular simulations of proteins. (2013)
Journal Article
Spiga, E., Alemani, D., Degiacomi, M., Cascella, M., & Peraro, M. (2013). Electrostatic-consistent coarse-grained potentials for molecular simulations of proteins. Journal of Chemical Theory and Computation, 9(8), 3515-3526. https://doi.org/10.1021/ct400137q

We present a new generation of coarse-grained (CG) potentials that account for a simplified electrostatic description of soluble proteins. The treatment of permanent electrostatic dipoles of the backbone and polar side-chains allows to simulate prote... Read More about Electrostatic-consistent coarse-grained potentials for molecular simulations of proteins..