Molecular dynamics simulation data of the manuscript "KnowVolution of an efficient polyamidase through molecular dynamics simulations of incrementally docked oligomeric substrates"

<p>This repository provides the simulation data as well as the input and parameters files to reproduce our findings.</p> <p><strong>Acknowledgments</strong></p> <p>The authors gratefully acknowledge the computing time provided by RWTH Aachen University.&nbsp;Computations were performed with computing resources granted by RWTH Aachen University under project rwth1584.</p>