TY  - CONF
AU  - Bergeest, Christian
AU  - Alfonso-Prieto, Mercedes
AU  - Rizzi, Andrea
AU  - Mandelli, Davide
AU  - Assent, Ira
AU  - Berlage, Thomas
AU  - Rossetti, Giulia
TI  - From Covalent Docking to QM/MM Simulations: A continuous Pipeline using Snakemake
PB  - RWTH Aachen
M1  - FZJ-2024-07556
PY  - 2024
T2  - 24th European Symposium on Quantitative Structure-Activity Relationship - Synergizing AI and Multiscale Modeling for Drug Discovery
CY  - 22 Sep 2024 - 26 Sep 2024, Barcelona (Spain)
Y2  - 22 Sep 2024 - 26 Sep 2024
M2  - Barcelona, Spain
LB  - PUB:(DE-HGF)24
UR  - https://juser.fz-juelich.de/record/1034803
ER  -