QresFEP: An Automated Protocol for Free Energy Calculations of Protein Mutations in Q

Citation
Jespers, W., Isaksen, G. V., Andberg, T. A. H., Vasile, S., van Veen, A., Åqvist, J., Brandsdal, B. O., & Gutiérrez-de-Terán, H. (2019). QresFEP: An Automated Protocol for Free Energy Calculations of Protein Mutations in Q. Journal of Chemical Theory and Computation, 15(10), 5461–5473. https://doi.org/10.1021/acs.jctc.9b00538
DOI:
DOI: 10.1021/acs.jctc.9b00538
Year of publication:
2019
Authors participating in BCBHub:
Hugo Gutiérrez de Terán Castañón