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Ilia Igashov

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Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Laboratory of Protein Design & Immunoengineering

EPFL
STI
IBI-STI
LPDI

Equivariant 3D-conditional diffusion model for molecular linker design

Pascal Frossard, Bruno Emanuel Ferreira De Sousa Correia, Arne Schneuing, Ilia Igashov, Clément Arthur Yvon Vignac

Fragment-based drug discovery has been an effective paradigm in early-stage drug development. An open challenge in this area is designing linkers between disconnected molecular fragments of interest to obtain chemically relevant candidate drug molecules. I ...

2024

Structure-based drug design with equivariant diffusion models

Bruno Emanuel Ferreira De Sousa Correia, Arne Schneuing, Ilia Igashov

Structure-based drug design (SBDD) aims to design small-molecule ligands that bind with high affinity and specificity to pre-determined protein targets. Generative SBDD methods leverage structural data of drugs with their protein targets to propose new dru ...

SPRINGERNATURE2024

A new age in protein design empowered by deep learning

Bruno Emanuel Ferreira De Sousa Correia, Michael Bronstein, Hamed Khakzad, Casper Alexander Goverde, Arne Schneuing, Ilia Igashov

The rapid progress in the field of deep learning has had a significant impact on protein design. Deep learning methods have recently produced a breakthrough in protein structure prediction, leading to the availability of high-quality models for millions of ...

Cell Press2023