Johanna K. S. Tiemann

The paper screens bacterial cutinases to identify those with PET hydrolysis activity, finding it rare and mostly within the canonical-fold family.

MutationExplorer provides a webserver to visualize the energetic impacts of protein mutations on 3D structures using Rosetta and supports SNP analysis and sequence uploads.

The paper indexes and analyzes 250,000 molecular dynamics simulation files to create a search engine prototype for MD data.

The paper presents a framework for ensuring reproducibility in bio-macromolecular modeling through automated benchmarks and a test server, demonstrating its utility for Rosetta and other tools.