Evgenia Elizarova

This paper introduces LDDM, a generative model for drug design that produces synthetically accessible compounds validated experimentally for five protein targets.

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.

FragmentScope uses learned protein surface representations to guide fragment placement and small molecule design, achieving accurate placement and promising lead compounds.

This paper designs proteins that target neosurfaces from protein-ligand complexes using a deep learning approach, validated experimentally against three drug-bound protein complexes.