Ilia Igashov

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

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

The paper introduces a computational framework for fragment-based screening and binding affinity prediction using protein surface descriptors to identify ligands for challenging protein targets.

The paper introduces VoroCNN, a deep convolutional neural network for predicting local qualities of 3D protein folds using Voronoi tessellation, achieving competitive results compared to existing methods.