%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-2024-07559
%D 2024
%B INM Retreat 2024
%C 19 Nov 2024 - 20 Nov 2024, Jülich (Germany)
Y2 19 Nov 2024 - 20 Nov 2024
M2 Jülich, Germany
%F PUB:(DE-HGF)24
%9 Poster
%U https://juser.fz-juelich.de/record/1034806