/ace2-rbd-modeling-protocols

Updated protocols to model ACE2:RBD variants.

Primary LanguagePythonMIT LicenseMIT

Protocols and scripts to model ACE2:RBD complexes.

If you use (part of) these protocols, please cite:

Rodrigues JPGLM, Barrera-Vilarmau S, M. C. Teixeira J, Sorokina M, Seckel E, Kastritis PL, et al. (2020) Insights on cross-species transmission of SARS-CoV-2 from structural modeling.
PLoS Comput Biol 16(12): e1008449. 
https://doi.org/10.1371/journal.pcbi.1008449