M. Oh

Automated Collective Variable Discovery for MFSD2A transporter from molecular dynamics simulations

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.

tICA-Metadynamics for Identifying Slow Dynamics in Membrane Permeation

This paper applies tICA-metadynamics to identify slow dynamics in trimethoprim permeation through a multicomponent membrane, improving convergence efficiency and correcting artifacts in collective variables.

Darapladib, an inhibitor of Lp-PLA2, sensitizes cancer cells to ferroptosis by remodeling lipid metabolism

This study shows that darapladib, an Lp-PLA2 inhibitor, enhances ferroptosis in cancer cells by altering lipid metabolism and synergizes with GPX4 inhibitors to suppress tumor growth.

Pancreatic tumors activate arginine biosynthesis to adapt to myeloid-driven amino acid stress

The paper develops a cell culture medium mimicking the PDAC tumor microenvironment and identifies arginine biosynthesis as a metabolic adaptation to myeloid-driven arginine starvation.

A revised 1.6 Å structure of the GTPase domain of the Parkinson’s disease-associated protein LRRK2 provides insights into mechanisms

This paper reports a 1.6 Å crystal structure of the GTPase domain of LRRK2, revealing how PD-associated mutations at Arg-1441 impair nucleotide-dependent conformational dynamics.