Raw data for: Cell-free biosynthesis combined with deep learning accelerates de novo-development of antimicrobial peptides

<p>This repository contains data related to &quot;Cell-free biosynthesis combined with deep learning accelerates de novo-development of antimicrobial peptides&quot; by Pandi et al.</p> <p>Included are molecular dynamics parameter files, initial structures after system equilibration and production trajectories. For simulations of AMPs with membranes, trajectories are subsampled with 1 frame every 5 ns and final structures after 1 &mu;s of production simulation are included.</p> <p>Contact information:<br> Name: Stefan L. Schaefer<br> Institution: Department of Theoretical Biophysics, Max Planck Institute of Biophysics<br> Address: Max-von-Laue-Str. 3, 60438 Frankfurt am Main, Germany<br> Email: stefan.schaefer@biophys.mpg.de</p>