Publications by Michael Bronstein

Decoding surface fingerprints for protein-ligand interactions

Small molecules have been the preferred modality for drug development and therapeutic interventions. This molecular format presents a number of advantages, e.g. long half-lives and cell permeability, making it possible to access a wide range of therapeutic ...

2024

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

De novo design of protein interactions with learned surface fingerprints

Didier Trono, Henning Paul-Julius Stahlberg, Beat Fierz, Priscilla Turelli, Bruno Emanuel Ferreira De Sousa Correia, Elisa Oricchio, Sandrine Madeleine Suzanne Georgeon, Dongchun Ni, Andreas Scheck, Michael Bronstein

Physical interactions between proteins are essential for most biological processes governing life. However, the molecular determinants of such interactions have been challenging to understand, even as genomic, proteomic and structural data increase. This k ...

2023

Systems and methods for de novo design of protein interactions with learned surface fingerprints

Andreas Scheck, Michael Bronstein, Anthony Marchand, Pablo Gainza Cirauqui, Zander Harteveld, Sarah Wehrle, Freyr Sverrisson, Alexandra Krina Van Hall-Beauvais

The present application relates to a computer-implemented systems and methods for protein interaction design using surface fingerprints. The method comprises predicting at least one target interface site with high binding propensity, wherein, optionally, t ...

2023

Partition and Code: learning how to compress graphs

Andreas Loukas, Michael Bronstein, Nikolaos Karalias, Georgios Bouritsas

Can we use machine learning to compress graph data? The absence of ordering in graphs poses a significant challenge to conventional compression algorithms, limiting their attainable gains as well as their ability to discover relevant patterns. On the other ...

2021

Graph Signal Processing for Machine Learning: A Review and New Perspectives

Pascal Frossard, Ntorina Thanou, Michael Bronstein, Laura Toni, Xiaowen Dong

The effective representation, processing, analysis, and visualization of large-scale structured data, especially those related to complex domains, such as networks and graphs, are one of the key questions in modern machine learning. Graph signal processing ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2020

Deciphering interaction fingerprints from protein molecular surfaces using geometric deep learning

Bruno Emanuel Ferreira De Sousa Correia, Michael Bronstein, Pablo Gainza Cirauqui, Freyr Sverrisson

Predicting interactions between proteins and other biomolecules solely based on structure remains a challenge in biology. A high-level representation of protein structure, the molecular surface, displays patterns of chemical and geometric features that fin ...

2019

Decrypting interaction fingerprints in protein molecular surfaces

Bruno Emanuel Ferreira De Sousa Correia, Pablo Gainza Cirauqui, Michael Bronstein, Freyr Sverrisson

SPRINGER2019

Geometric deep learning: going beyond Euclidean data

Pierre Vandergheynst, Michael Bronstein

Many signal processing problems involve data whose underlying structure is non-Euclidean, but may be modeled as a manifold or (combinatorial) graph. For instance, in social networks, the characteristics of users can be modeled as signals on the vertices of ...

2017

Robust Principal Component Analysis on Graphs

Pierre Vandergheynst, Xavier Bresson, Michael Bronstein, Nauman Shahid, Vasilis Kalofolias

Principal Component Analysis (PCA) is the most widely used tool for linear dimensionality reduction and clustering. Still it is highly sensitive to outliers and does not scale well with respect to the number of data samples. Robust PCA solves the first iss ...

2015