Ahmad Reza Mehdipour

Mechanistic basis of teichoic acid transport by a gatekeeper flippase

The paper determines the mechanism of teichoic acid transport by the flippase TacF in Streptococcus pneumoniae using cryo-EM and computational methods.

In-cell structure of a LINC complex reveals the molecular basis for membrane remodelling and head-to-tail coupling in sperm cells

The paper determines the sub-nanometer structure of the SUN5-Nesprin3 LINC complex in human sperm cells, revealing its role in nuclear envelope remodelling and male infertility.

Molecular dynamics of membrane partitioning of nifedipine prior to binding calcium channel Cav1.1

This study uses MD simulations to analyze the membrane partitioning of nifedipine before its binding to Cav1.1, showing drug-membrane interactions occur faster than overall binding.

Effect of membrane composition on interaction and permeation of a mycobacterial siderophore

This study uses molecular dynamics simulations to show that iron-bound mycobactin flip-flops across mycobacterial membranes more slowly than generic lipids, with lipid composition affecting mobility.

Robotic-inspired approach to multi-domain membrane receptor conformation space: theory and SARS-CoV-2 spike protein case study

The paper develops a robotic-inspired method to define the conformational space of the SARS-CoV-2 spike protein using DH parameters, showing improved distinction of conformations compared to spherical coordinates.

Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23

The paper reports cryo-EM structures of fully assembled IL-12/IL-23 receptor complexes, revealing structural insights and differences in their interactions with receptors.

GlycoVHH: Introducing N-glycans on the camelid VHH antibody scaffold - Optimal sites and use for macrophage delivery

This study identifies optimal sites for introducing N-glycans on VHH antibodies to enhance macrophage delivery, demonstrating glycan-dependent uptake in vitro and in vivo.

Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike

The paper uses molecular dynamics simulations to show that glycosylation at N90 and N322 sites of human ACE2 has opposing effects on SARS-CoV-2 spike protein binding.

Novel class of OTU deubiquitinases regulate substrate ubiquitinationupon Legionella infection

The paper identifies two novel Legionella OTU-like deubiquitinases, LotB and LotC, and describes their structural and functional differences in ubiquitin chain cleavage during infection.