@article{10902/38197,
year = {2025},
url = {https://hdl.handle.net/10902/38197},
abstract = {Here, we present a protocol for an automated virtual screening pipeline. We describe steps for generating compound libraries for computational docking including Food and Drug Administration (FDA)-approved drugs, setting up the receptor and grid box, and docking a library of compounds. We then detail procedures for ranking docking results. This protocol offers scripts for Unix-like systems, lowering the access barrier for researchers interested in structure-based drug discovery and supporting more experienced users by improving the efficiency of their studies.},
publisher = {Elsevier},
publisher = {STAR Protocols, 2025, 6(4),104161},
title = {Protocol for an automated virtual screening pipeline including library generation and docking evaluation},
author = {Barbosa Pereira, Pedro José and Ripoll Rozada, Jorge and Macedo-Ribeiro, Sandra and Manso García, José Antonio},
}