Published November 19, 2022
| Version v1
Dataset
Open
Raw data for: Cell-free biosynthesis combined with deep learning accelerates de novo-development of antimicrobial peptides
Authors/Creators
- 1. Max-Planck-Institute of Biophysics
- 2. Max-Planck-Institute of Biophysics; Goethe University Frankfurt
Description
This repository contains data related to "Cell-free biosynthesis combined with deep learning accelerates de novo-development of antimicrobial peptides" by Pandi et al.
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 μs of production simulation are included.
Contact information:
Name: Stefan L. Schaefer
Institution: Department of Theoretical Biophysics, Max Planck Institute of Biophysics
Address: Max-von-Laue-Str. 3, 60438 Frankfurt am Main, Germany
Email: stefan.schaefer@biophys.mpg.de
Notes
This work was supported by the Max Planck Society, the Clusterproject ENABLE funded by the Hessian Ministry for Science and the Arts, and the Collaborative Research Center 1507 funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation). We also thank the Max Planck Computing and Data Facility (MPCDF) for computational resources.