De novo protein design has advanced rapidly, yet designing binders to polar, solvent-exposed epitopes and small, flexible ligands remains challenging. Such hydrated surfaces and flexible molecules, in...

A deep dive into the convergence of discriminative and generative AI, covering 4 phases of evolution from REPA to RAE and beyond.

Graphics processing unit-accelerated MMseqs2 offers tremendous speedups for homology retrieval from metagenomic databases, query-centered multiple sequence alignment generation for structure predictio...

Graphics processing unit-accelerated MMseqs2 offers tremendous speedups for homology retrieval from metagenomic databases, query-centered multiple sequence alignment generation for structure predictio...

Deep learning methods trained on protein structure databases have revolutionized biomolecular structure prediction, but developing and training new models remains a considerable challenge. To facilita...

La-Proteina: Atomistic Protein Generation via Partially Latent Flow Matching

This work applies diffusion models to conditional molecule generation and shows how they can be used to tackle various structure-based drug design problems

MMseqs2: ultra fast and sensitive search and clustering suite - soedinglab/MMseqs2