3 papers
cs.LG2026
Few-step Cofolding with All-Atom Flow Maps
Gianluca Scarpellini, Ron Shprints, Peter Holderrieth +7
All-atom generative modeling of 3D biomolecular complexes has emerged as the dominant paradigm for predicting the structure of proteins and protein-ligand systems. Generating struc…
q-bio.QM2025
Triangle Multiplication Is All You Need For Biomolecular Structure Representations
Jeffrey Ouyang-Zhang, Pranav Murugan, Daniel J. Diaz +7
AlphaFold has transformed protein structure prediction, but emerging applications such as virtual ligand screening, proteome-wide folding, and de novo binder design demand predicti…
cs.LG2025
Pearl: A Foundation Model for Placing Every Atom in the Right Location
Genesis Research Team, Alejandro Dobles, Nina Jovic +37
Accurately predicting the three-dimensional structures of protein-ligand complexes remains a fundamental challenge in computational drug discovery that limits the pace and success…