Yu‐ming M. Huang

This study identifies structural and energetic determinants of monobody 12D4 recognition of KRAS variants using simulations and redesign, revealing key interactions and mutations for improved selectivity.

LipiDeA quantifies lipid packing defects in complex membranes, showing defects preferentially occur in curved regions and vary with membrane composition.

This study investigates how ABHD5 partitions between ER bilayers and LD monolayers using model membranes and computational modeling, revealing biophysical factors that drive its membrane selectivity.

This study investigates how PNPLA2 and PNPLA3 bind to ER and LD membranes using simulations and microscopy, revealing distinct binding modes and their impact on catalytic activity.

This study identifies a dual-site membrane recognition mechanism in ABHD5 that enables its activation and regulation of lipid metabolism.

This study identifies small molecule inhibitors targeting the MEIG1-PACRG complex using virtual screening, docking, and MD simulations, highlighting distinct binding determinants for each protein.

This study shows that LD targeting of ABHD5 and PNPLA3 I148M is necessary for their interaction and promotes liver steatosis.

This study investigates ligand dissociation from the SARS-CoV-2 spike glycoprotein using simulations, revealing two unbinding pathways and key residues involved in ligand binding and ACE2 interaction.