O. Mailhot

Understanding and predicting ligand efficacy in the mu-opioid receptor through quantitative dynamical analysis of complex structures

This study predicts ligand efficacy in the mu-opioid receptor using dynamic analysis and machine learning, showing dynamics are critical for accurate predictions.

Ebola Virus VP35 Interacts Non-Covalently with Ubiquitin Chains to Promote Viral Replication Creating New Therapeutic Opportunities

This study identifies a non-covalent interaction between Ebola virus VP35 and ubiquitin chains that supports viral replication and discovers compounds that block this interaction to reduce viral activity.

The DynaSig-ML Python package: automated learning of biomolecular dynamics-function relationships

The paper introduces DynaSig-ML, a Python package that learns dynamics-function relationships in biomolecules using sequence variants and the Elastic Network Contact Model.

Sequence-sensitive elastic network captures dynamical features necessary for miR-125a maturation

The paper introduces ENCoM, a sequence-sensitive NMA model for RNA dynamics, showing it captures functional dynamics beyond sequence in miR-125a maturation.

Modelling conformational state dynamics and its role on infection for SARS-CoV-2 Spike protein variants

This study models conformational state dynamics of SARS-CoV-2 Spike protein variants using normal-mode analysis, showing how mutations affect open-state occupancy and infectivity.