Adrian H. Elcock

The paper introduces a method to apply a distance-based cutoff to hydrodynamic interactions in Brownian dynamics simulations while maintaining a positive definite diffusion tensor.

This study uses coarse-grained simulations to analyze OMP-phospholipid interactions and water dynamics in E. coli outer membranes.

The paper introduces spotter, a stochastic simulation model that integrates transcription, translation, and DNA supercoiling in prokaryotes, bridging single-molecule and cellular-scale data.

The paper identifies novel Fe-S and Zn-binding sites in AlphaFold2-predicted protein structures, showing agreement with known sites and highlighting potential errors.