Ilia Igashov

Structure-based drug design with equivariant diffusion models

Arne Schneuing, Charles B. Harris, Yuanqi Du et al. · Nature Computational Science · 2024 · 116 citations · Full text

Drug Target, New Drug Candidates, Engineering +17

Equivariant 3D-conditional diffusion model for molecular linker design

Ilia Igashov, H. Stärk, Clément Vignac et al. · Nature Machine Intelligence · 2024 · 114 citations · Full text

Drug Target, Engineering, Hit Identification +17

VoroCNN: deep convolutional neural network built on 3D Voronoi tessellation of protein structures

Ilia Igashov, Kliment Olechnovič, Maria Kadukova et al. · Bioinformatics · 2021 · 39 citations

Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design

Ilia Igashov, H. Stärk, Clément Vignac et al. · arXiv (Cornell University) · 2022 · 34 citations · Full text

Engineering, Hit Identification, Molecular Fragments +19

VoroCNN: Deep convolutional neural network built on 3D Voronoi tessellation of protein structures

Ilia Igashov, Kliment Olechnovič, Maria Kadukova et al. · 2020 · 15 citations · Full text

Geometric Learning, Convolutional Neural Network, Engineering +20