Author

Roland Riek

3 papers indexed here

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Open access Sep 2026

A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design

LDDM (Large Drug Discovery Model) is introduced, a generative framework that supports a range of drug discovery tasks, including constrained and unconstrained docking, fragment linking and growing, and de novo design, and a programmable design algorithm that enables accurate design of synthetically accessible compounds...

Ilia Igashov, Arne Schneuing, Adrian W. Dobbelstein et al. · bioRxiv · 0 citations

Open access Jul 2026

Cryo-EM structures of α-Synuclein(31-100) amyloid fibrils reveal disease-like structural motifs without reproducing the Parkinson’s Disease polymorph

The structural diversity of alpha-synuclein amyloid fibrils is closely linked to the pathogenesis of Parkinson’s disease and related synucleinopathies. However, reproducing disease-associated fibril conformations from recombinant full-length protein in vitro has remained challenging. Inspired by successful truncation s...

Kristina Biedermann, D. Rhyner, Lukas Frey et al. · bioRxiv · 0 citations

Open access Jul 2026

On the Polymorph-Selection Determinants of α- Synuclein Amyloid Fibrils Studied at Atomic Resolution

Alpha-synuclein is an intensely studied intrinsically disordered protein whose aggregation into amyloid fibrils is connected to the progression of several neurodegenerative diseases, most commonly Parkinson’s Disease. A remarkable feature that has emerged from this research is how easy it is to induce the protein to ag...

Lukas Frey, D. Rhyner, Witek Kwiatkowski et al. · bioRxiv · 1 citation