Data from: NetSci: A Library for High Performance Biomolecular Simulation Network Analysis Computation
Owning Institution: UC San Diego, Research Data Curation Program
About this Collection
This collection contains trajectory and molecular dynamics simulation output data for NetSci: A Library for High Performance Biomolecular Simulation Network Analysis Computation. Specifically, proteinG and the SERCA pump were simulated to generate trajectories for generalized correlation analysis of biomolecular allosteric motion. In each case, the raw trajectories were stripped of irrelevant atoms, and then analyzed. Both full trajectories and stripped trajectories, as well as topology files and preprocessing scripts, are included here. View this collection on the contributor's website.View our statement on digital primary resources and historical description.
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