Wiesław Nowak

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.

This study shows that PBO inhibits cytochrome P450, reducing deltamethrin efficacy by altering Nav channel interactions through an octopamine-dependent pathway.

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.