Han Sun

This study uses molecular dynamics simulations to compare ion conduction mechanisms in HCN and CNG channels, revealing differences in selectivity filter dynamics that explain their functional divergence.

This paper introduces covalent activity-based probes to study phosphoarginine phosphatases, identifying new enzymes and expanding understanding of bacterial signal transduction.

The paper identifies and characterizes far-red-sensitive opsins in mantis shrimp eyes, revealing their spectral tuning mechanisms and photoreversibility.

The paper uses molecular dynamics simulations to reveal the atomistic mechanism of cation permeation and voltage sensitivity in the CNGA1 ion channel.

This study investigates the atomistic mechanisms of calcium permeation in GluA2 AMPA receptors, showing how Q/R editing and selectivity filter mutations modulate ion selectivity and conductance.

This paper reveals the atomistic mechanism of voltage gating in TREK K2P channels through molecular dynamics simulations and electrophysiology, showing how SF conformational flexibility and water influx regulate ion permeation.

The paper measures single HCN channel conductance at femtosiemens resolution, finding that mHCN1, mHCN3, and mHCN4 have smaller conductances than mHCN2.

This paper introduces a semi-supervised contrastive learning method for bioactivity prediction from Cell Painting image data, improving classification of pharmacological classifications and biological targets.

This study uses time-resolved crystallography and MD simulations to reveal structural changes in C1C2 channelrhodopsin during activation, showing how conformational shifts enable ion conduction.

This paper introduces deuterated azobenzene photoswitches to enhance photopharmacological molecules by improving light sensitivity, photoswitch efficiency, and kinetics.

The paper reveals the atomistic mechanism of long-range coupling between the cytosolic sensor domain and the selectivity filter in TREK K2P channels, showing how conformational changes and phosphorylation regulate channel activity.