Author
Barcelona Supercomputing CenterORCID 0000-0001-7720-1351Unclaimed ORCID profile · follow to get notified of new preprints
5 papers
Recent·Most cited
Pius Galli, Shuhao Xiao, Yanxiang Meng…·Nicolas H. Thomä
The paper identifies CRBN-pomalidomide binders using a combination of GluePCA and AI-derived protein surface queries, revealing known and novel interactors for MGD development.
Julius Wenckstern, Anna M. Díaz-Rovira, Julia Kuhn…·Bruno E. Correia
A parallelized BindCraft pipeline generated 306,146 in silico binder candidates against 8,296 human proteins, each with sequence, predicted complex and confidence metrics, freely accessible online.
Anne Boyeldieu, Mathieu A. Bergé, Clarisse Roblin…·Patrice Polard
This study identifies RumC1 as a broad-spectrum bacteriocin targeting a transient peptidoglycan intermediate in cell wall maturation, with distinct mechanisms from vancomycin.
Anna M. Díaz-Rovira, Jonathan Lotze, Gregor Hoffmann…·Sergi Rodà
This study combines AI/physics-based computation and phage display to design high-affinity Affilin(R) proteins targeting HER3, achieving successful theranostic candidates with high affinity and stability.
Anna M. Díaz-Rovira, Carles Perez‐Lopez, Jordi Martín-Pérez…·Vı́ctor Guallar
The paper uses Monte Carlo simulations to analyze the dynamic energy landscapes of PROTAC ternary complexes, identifying stable conformations and supporting PROTAC optimization.