Publications by Karla Montserrat Castro Gilabert

Multi-motif scaffolding for de novo pathogen antigen mimetics by deep generative learning

Proteins are macromolecular machines central to virtually every fundamental biological function. Three-dimensional protein structures, determined by their amino acid composition, are directly linked to their function. Research into structure-function relat ...

EPFL2024

Track: Machine Learning in Protein Science De Novo Design of Viral Epitope Mimetics with Non-Regular Structural Features

Bruno Emanuel Ferreira De Sousa Correia, Karla Montserrat Castro Gilabert, Anastassia Andreevna Vorobieva, Jue Wang

WILEY2023

Scaffolding protein functional sites using deep learning

Bruno Emanuel Ferreira De Sousa Correia, Wayne Yang Wen Wei, Karla Montserrat Castro Gilabert, Basile Isidore Martin Wicky, Jue Wang

The binding and catalytic functions of proteins are generally mediated by a small number of functional residues held in place by the overall protein structure. Here, we describe deep learning approaches for scaffolding such functional sites without needing ...

American Association for the Advancement of Science2022

Computational design of vaccine immunogens

Bruno Emanuel Ferreira De Sousa Correia, Andreas Scheck, Karla Montserrat Castro Gilabert, Shuhao Xiao

Computational protein engineering has enabled the rational design of customized proteins, which has propelled both sequence-based and structure-based immunogen engineering and delivery. By discerning antigenic determinants of viral pathogens, computational ...

CURRENT BIOLOGY LTD2022