Unveiling novel drug-target couples: an empowered automated pipeline for enhanced virtual screening using AutoDock Vina
The AutoDock Vina automation pipeline is freely available for noncommercial use at https://gitlab.com/la_sveva/pip2.0. It is compatible with Linux systems, and a Docker image is provided for ease of deployment and reproducibility. Researchers can easily integrate the pipeline into existing workflows, supporting broader adoption in virtual screening and drug repurposing projects.
Authors
- Elisa Oltra (ORCID: https://orcid.org/0000-0003-0598-2907)
- Tiziana Alberio (ORCID: https://orcid.org/0000-0002-6065-6699)
- Mauro Fasano (ORCID: https://orcid.org/0000-0003-0628-5871)
- Emily Samuela Turilli-Ghisolfi (ORCID: https://orcid.org/0000-0003-2162-5088)
- S. Carsi (ORCID: https://orcid.org/0009-0004-2571-4760)
- Sveva Bonomi (ORCID: https://orcid.org/0009-0001-0400-8400)
Institutions
- University of Insubria (IT)
- Valencia Catholic University Saint Vincent Martyr (ES)
- Ospedale di Circolo di Busto Arsizio (IT)
Publication Details
- Journal
- Bioinformatics Advances
- Published
- 2024-12-26
- DOI
- https://doi.org/10.1093/bioadv/vbaf267
- Primary Topic
- Cell Image Analysis Techniques
- Type
- article
- Field-Weighted Citation Impact
- 0.00