Thomas Dean Pollard

Physical Confinement Modulates the Rate-Limiting Transition in the Release of Phosphate from Actin Filaments

The paper uses molecular dynamics simulations to show that phosphate release from actin filaments is limited by dissociation from Mg2+ and varies with subunit position and water molecule count.

Reaching the full potential of cryo-EM reconstructions with molecular dynamics simulations at 310 K: Actin filaments as an example

This paper uses molecular dynamics simulations at 310 K to analyze cryo-EM reconstructions of actin filaments, revealing conformational differences from physiological conditions and explaining functional properties.