H. Torabifard

Histone H3 Orchestrates the Ubiquitination of Nucleosomal H2A by BRCA1/BARD1-UbcH5c Complex

This study uses molecular dynamics simulations to investigate how the BRCA1/BARD1-UbcH5c complex ubiquitinates H2A, highlighting the role of H3 in orienting the E2-Ub complex.

Allosteric Modulation of YAP/TAZ-TEAD Interaction by Palmitoylation and Small Molecule Inhibitors

This study uses molecular dynamics simulations to investigate how palmitoylation and inhibitors affect YAP/TAZ-TEAD interactions, revealing distinct binding mechanisms for the inhibitor.

Uncovering the Mechanism of the Proton-Coupled Fluoride Transport in the CLCF Antiporter

This study uses molecular dynamics simulations to uncover the mechanism of proton-coupled fluoride transport in the CLCF antiporter, revealing the role of specific residues and the coupling of proton and anion transport.

Histone Tail Electrostatics Modulate E2-E3 Enzyme Dynamics: A Gateway to Regulate Ubiquitination Machinery

This study uses molecular dynamics simulations to reveal how histone tail electrostatics influence BRCA1/BARD1-UbcH5c dynamics and ubiquitination of the H2A C-tail, linking these processes to cancer susceptibility.

Computational Investigation of O2 Diffusion Through an Intra-molecular Tunnel in AlkB; Influence of Polarization on O2 Transport

This study uses computational simulations to investigate O2 diffusion pathways in AlkB, finding two tunnels with one viable route and highlighting the impact of polarization and a conserved residue on O2 transport.