Machine-readable files (redocking poses, and enzyme models and predictions) for Frontiers in Drug Discovery manuscript
All 48 protocols (200 runs each) for covalent and noncovalent redocking of E64d in the I7L enzyme using GOLD;AlphaFold2 models for the I7L enzymes of MPXV, VARV, and VACV;PrankWeb results for all protease structures assessed (experimental and modeled);
Authors
- Mateus Sá Magalhães Serafim (ORCID: https://orcid.org/0000-0002-7505-8659)
Institutions
- Universidade Federal de Minas Gerais (BR)
Publication Details
- Journal
- Zenodo (CERN European Organization for Nuclear Research)
- Published
- 2026-10-29
- DOI
- https://doi.org/10.5281/zenodo.23770430
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00