C. Chipot

Structural Determinants for Activity of the Antidepressant Vortioxetine at Human and Rodent 5-HT3 receptors

This study investigates how vortioxetine interacts with human and rodent 5-HT3 receptors, revealing structural differences and mechanisms of action.

Critical interactions for SARS-CoV-2 spike protein binding to ACE2 identified by machine learning

This study identifies critical residues for SARS-CoV-2 spike protein binding to ACE2 using machine learning and free energy calculations, showing how specific mutations affect binding affinity.

Structure of HIV-1 gp41 with its membrane anchors targeted by neutralizing antibodies

This paper presents the crystal structure of HIV-1 gp41 in a fusion intermediate state, revealing conformational plasticity and how antibodies block membrane fusion.

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

This study uses molecular dynamics simulations to investigate how inhibitor binding affects the protonation states of histidines in SARS-CoV-2 main protease, showing their impact on structural stability and inhibitor binding.

Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors

The paper investigates how bortezomib activates ClpP protease by mimicking a substrate and inducing allosteric conformational changes that enhance its interaction with ClpX.