Chelsea M. Brown

This study evaluates coarse-grained funnel metadynamics for modeling ligand binding at the tubulin colchicine site, showing improved statistical convergence and reasonable accuracy compared to all-atom simulations.

This study investigates how cardiolipin modulates MmpL3 function in mycobacteria, revealing its role in regulating proton translocation and MA transport.

This paper parameterizes 186 common metabolites for the Martini 3 force field to enable realistic simulations of metabolite interactions in biological systems.

The paper introduces a web portal for the Martini Force Field Initiative to facilitate open collaboration and resource management in biomolecular simulations.

The paper introduces TS2CG version 2, a tool for building coarse-grained membrane structures with specific shapes and lateral organization, demonstrating its capabilities through various simulations.

The paper presents a workflow to create a comprehensive model of a mitochondrial crista junction using a coarse-grained representation and molecular modelling.

This study presents cryo-EM structures of AftB from Mycobacterium chubuense, revealing its architecture and mechanism for terminal arabinosylation in mycobacterial cell wall biosynthesis.

This study determines the cryo-EM structures of PimE from Mycobacterium abscessus and elucidates its mechanism of action, providing insights for anti-TB drug development.

This study identifies a charged glutamate on VDAC1 and VDAC2 that interacts with HKI's N-terminal helix, revealing structural and mechanistic insights into their complex formation.