Marie‐Dominique Devignes

Subtle changes at the RBD/hACE2 interface during SARS-CoV2 variant evolution: a molecular dynamics study

This paper uses molecular dynamics simulations to analyze changes in the RBD/hACE2 interface across SARS-CoV-2 variants, identifying key residues and interactions that contribute to binding stability and variant persistence.

HLA-EpiCheck: A B-cell epitope prediction tool for HLA proteins using molecular dynamics simulation data.

HLA-EpiCheck predicts B-cell epitopes on HLA proteins using molecular dynamics simulations and outperforms existing methods, aiding in organ transplant matching.

PPIDomainMiner : Inferring domain-domain interactions from multiple sources of protein-protein interactions

PPIDomainMiner infers domain-domain interactions from multiple PPI sources, producing 84,552 non-redundant DDIs with statistical classification.

PGxCorpus: a Manually Annotated Corpus for Pharmacogenomics

PGxCorpus provides a manually annotated dataset of 945 sentences to extract pharmacogenomics relationships from text, enabling supervised machine learning applications in the field.

The CAFA challenge reports improved protein function prediction and new functional annotations for hundreds of genes through experimental screens

The paper reports results from the CAFA3 challenge, showing improved computational protein function prediction and new annotations for over 1000 genes through experimental screens in C. albicans, P. aureginosa, and Drosophila.