Matthew J. Guberman‐Pfeffer

ProPrep streamlines molecular dynamics preparation by guiding users through steps with automation and visualization, enabling reproducible and transparent simulations.

This study uses multiscale modeling and cryo-EM to show that transient protein structures guide electron transfer in mitochondrial supercomplexes, improving energy conversion efficiency by 30%.

The paper demonstrates that cytochrome nanowires have sub-picoamp currents sufficient for cellular respiration, constrained by physical and electrochemical factors.

This study uses de novo protein design to investigate redox cooperativity in multiheme cytochromes, showing that membrane burial enhances heme-heme electrostatic coupling.

The paper investigates redox conduction through cytochrome nanowires in Geobacter sulfurreducens using computational methods to model electron transfer mechanisms and their physiological relevance.