%0 Conference Paper
%A Bergeest, Christian
%A Alfonso-Prieto, Mercedes
%A Rizzi, Andrea
%A Mandelli, Davide
%A Assent, Ira
%A Berlage, Thomas
%A Rossetti, Giulia
%T From Covalent Docking to QM/MM Simulations: A continuous Pipeline using Snakemake
%I RWTH Aachen
%M FZJ-2024-07556
%D 2024
%B 24th European Symposium on Quantitative Structure-Activity Relationship - Synergizing AI and Multiscale Modeling for Drug Discovery
%C 22 Sep 2024 - 26 Sep 2024, Barcelona (Spain)
Y2 22 Sep 2024 - 26 Sep 2024
M2 Barcelona, Spain
%F PUB:(DE-HGF)24
%9 Poster
%U https://juser.fz-juelich.de/record/1034803