Hummer Lab

Common unwrapping schemes for NPT MD trajectories can mess up diffusion coefficients.
Congrats to Jakob Bullerjahn @SoBuelow @MaziarHeidari1 @jerome_henin for showing how to unwrap properly by staying off-lattice: doi.org/10.1021/acs.jc…

Watch gasdermin-D form sublytic ion channels and cut pores into cell membranes to trigger pyroptotic cell death in inflammation and infection: doi.org/10.7554/eLife.…. Congrats to Stefan Schäfer @s_l_schaefer for his MD study in @eLife & thanks to @MPIbp @sfb1507 @EnableFrankfurt

Congrats to Sören von Bülow @SoBuelow for MD simulations of MHC and antigen-bound T-cell receptor published in Cell @CellCellPress doi.org/10.1016/j.cell… in collaboration with Tampé @goetheuni and Davis @DavisLab_Oxford groups, and off to a great start as postdoc @LindorffLarsen

Watch how carbon nanotubes self-assemble into lipid-embedded 2D crystals for nanofiltration applications: doi.org/10.1021/acsabm…. Thanks to Martin Vögele @Blendenfleck @Schrodinger and Jürgen Köfinger @jkoefinger for a great collaboration published in ACS Applied Bio Materials.

Watch with atomic resolution how gasdermin-D forms pores in plasma membrane to execute pyroptotic cell death in inflammation and infection: doi.org/10.1101/2022.0… . Great work by PhD student @s_l_schaefer and thanks to @EnableFrankfurt @MPIbp @sfb1507