Published December 9, 2024
| Version v1
Dataset
Open
PUR-GEN: A Web Server for Automated Generation of Polyurethane Fragment Libraries
Authors/Creators
- 1. Silesian University of Technology
Description
The repository comprises:
- 1.PUR-GEN_output.zip - PUR fragments generated with the PUR-GEN webserver
- 2.Docking.zip - molecular docking results to four selected cutinases and three urethanases
- 3.Data_analysis.zip - analysis of molecular docking results