Myongin Oh

This paper uses molecular dynamics simulations of AAA+ unfoldases to show structural asymmetry and allosteric networks generate kinetic asymmetry, enabling directional substrate translocation despite stochastic ATP hydrolysis.

The paper develops machine learning models to classify intrinsic activities of ligands at the human mu-opioid receptor using molecular descriptors and SMILES strings, achieving high accuracy even with limited data.

This paper develops and applies LDA-based methods to identify optimal collective variables from MD simulations of the MFSD2A transporter, improving the classification of metastable states.