Wenning Wang

Unraveling membrane protein conformational landscapes: Enhanced sampling, membrane regulation, and artificial intelligence–assisted simulation

Membrane proteins undergo functionally essential conformational transitions that couple local chemical events and changes in the membrane environment to large-scale structural rearrangements. These transitions are often difficult to capture with conventional molecular dynamics (M...

Tuning Water Transport in Subnanometer‐Sized Artificial Water Channels

ABSTRACT Water transport through nanochannels is not only essential for biological functions but also holds promise for the development of advanced flow sensors and membranes. In this study, a series of artificial water channels with subnanometer‐sized pores and tunable hydrophil...