Conformational dynamics of plasmepsin X during inhibitor binding
Wilson Karubiu, Richard Kullmann, Michael Krummhaar, Christian Roth, Thomas R. Weikl
This paper investigates the conformational dynamics of plasmepsin X during inhibitor binding and unbinding using molecular dynamics simulations, revealing a dominant unbinding pathway involving flap conformational changes.
The Journal of Physical Chemistry B · May 13, 2026Peer-reviewedBiophysics