Yong Wang

This study uses molecular dynamics simulations and electrophysiology to analyze the conformational changes in AaegOR10, showing how ligand binding affects pore opening.

This study investigates the rotational mechanism of the bacterial flagellar motor by analyzing protonation dynamics and structural asymmetry in CjMotAB using cryo-EM and computational methods.

This study investigates the ligand binding kinetics, thermodynamics, and gating of the insect odorant receptor MhOR5 using molecular dynamics simulations, revealing key structural determinants and differences in ligand behavior.

The paper introduces pHaseMD4AI, a molecular dynamics dataset with chemical and pH perturbations, to support biomolecular AI research and benchmarking.

ProteinFlux predicts protein conformational dynamics influenced by post-translational modifications using a generative framework, outperforming traditional methods in speed and accuracy.

This study shows membrane curvature drives prewetting transitions that organize mitochondrial nucleoids through localized protein condensation.

This study reveals how DNA actively regulates condensin's safety-belt dynamics through multiscale simulations, showing DNA's role in stabilizing and modulating loop extrusion.

The paper presents cryo-EM structures and molecular dynamics simulations of human XPR1, revealing a channel-like mechanism for phosphate transport and linking mutations to disease.

This paper introduces BEGAN, a GAN-based method that uses Boltzmann reweighting to enhance molecule generation for improved binding to insect pheromone receptors.

The paper introduces a diffusion model to generate diverse conformations of P-type ATPases, demonstrating high accuracy in capturing functional states.