TorchRef provides a PyTorch framework for crystallographic refinement, offering GPU acceleration and modular design for developing new refinement protocols.

Journal of Applied Crystallography · Oct 20, 2026Peer-reviewedBioinformatics

Time-resolved structures of β2-adrenergic receptor modulation by a photoswitchable beta-blocker

Robin Stipp, Quentin Bertrand, Matilde Cardoso Trabuco, Anna Duran‐Corbera, Maria Tindara Ignazzitto, Hannah Glover, Fabienne Stierli, Juanlo Catena, Melissa Carrillo, Sina Hartmann, Hans Peter Seidel, Matthias Mulder, Thomas J. Mason, Yasushi Kondo, Maximilian Wranik, , J. Standfuss

This study captures time-resolved structures of β2AR modulated by a photoswitchable beta-blocker, revealing conformational changes linked to ligand isomerization and receptor function.

bioRxiv · Sep 3, 2025 · PreprintBiochemistry

Structural insights into the opening mechanism of C1C2 channelrhodopsin

Matthias Mulder, Songhwan Hwang, Matthias Broser, Steffen Brünle, Petr Skopintsev, Caspar Jonas Schattenberg, Christina Schnick, Sina Hartmann, Jonathan Richard Church, Igor Schapiro, Florian Dworkowski, Tobias Weinert, Peter Hegemann, Han Sun, Jörg Standfuss

This study uses time-resolved crystallography and MD simulations to reveal structural changes in C1C2 channelrhodopsin during activation, showing how conformational shifts enable ion conduction.

Journal of the American Chemical Society · Dec 16, 2024Peer-reviewedBiophysics

Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography

Maximilian Wranik, Tobias Weinert, Chavdar Slavov, Tiziana Masini, Antonia Furrer, Natacha Gaillard, Dario Gioia, Marco Jacopo Ferrarotti, Daniel James, Hannah Glover, Melissa Carrillo, Demet Kekilli, Robin Stipp, Petr Skopintsev, Steffen Brünle, , Jörg Standfuss

The paper captures the release of a photopharmacological drug from tubulin using time-resolved serial crystallography and shows how ligand release triggers conformational changes.

Nature Communications · Feb 17, 2023Peer-reviewedMolecular Biology