Copper is an essential but potentially harmful trace element required in many enzymatic
processes involving redox chemistry. Cellular copper homeostasis in mammals is …

The Wilson disease protein (ATP7B) is a copper-transporting ATPase that is responsible for
regulating copper homeostasis in human tissues. ATP7B is associated with cancer …

P-type ATPases are ATP-powered ion pumps that establish ion concentration gradients
across biological membranes, and are distinct from other ATPases in that the reaction cycle …

Over the past decades, molecular dynamics (MD) simulations of biomolecules have become
a mainstream biophysics technique. As the length and time scales amenable to the MD …

Abstract The P 1B-ATPases are integral membrane proteins that couple ATP hydrolysis to
metal cation transport. Widely distributed across all domains of life, these enzymes have …

Cu+-ATPases play a key role in bacterial Cu+ homeostasis by participating in Cu+
detoxification and cuproprotein assembly. Characterization of Archaeoglobus fulgidus …

The P 1B family of P-type ATPases couples the transport of cytoplasmic transition metals
across biological membranes to the hydrolysis of ATP. These ubiquitous transporters …

P-type ATPases play an important role in Cu homeostasis, which provides sufficient Cu for
metalloenzyme biosynthesis but prevents oxidative damage of free Cu to the cell. The P IB …

As the field of molecular dynamics simulation utilizing the force fields is moving toward more
complex systems, the accuracy of intermolecular interactions has become a central issue of …

Wilson disease (WD) is a disorder of copper metabolism caused by mutations in the Cu-
transporting ATPase ATP7B. WD is characterized by significant phenotypic variability, the …