Katarzyna Walczewska-Szewc

This study uses cryoEM to reveal MgATP/MgADP-dependent conformational changes and IDR organization in vascular KATP channels.

The paper investigates the diffuse cryo-EM density of carbamazepine in the SUR1 drug-binding pocket and finds it results from dynamic single-molecule binding rather than dimerization.

The paper uses steered molecular dynamics to evaluate ligands' ability to modulate fast inactivation of P. americana cockroach Nav channels, identifying PF-05089771 and PIP2 as inhibitors.

multiSMD automates multi-directional SMD simulations to study direction-dependent molecular interactions, revealing anisotropic responses in biomolecular systems.

The paper identifies a novel KATP channel pharmacochaperone, Aekatperone, using AI screening and cryoEM, showing reversible inhibition and functional recovery of trafficking mutants.

The paper uses molecular dynamics simulations to study the dynamics and functions of intrinsically disordered regions in the Kir6.2/SUR1 potassium channel, revealing their role in mechanical signaling and ligand binding.