FIREBALL/AMBER: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems

Citation
Mendieta-Moreno, J. I., Walker, R. C., Lewis, J. P., Gómez-Puertas, P., Mendieta, J., & Ortega, J. (2014). <scp>fireball</scp>/<scp>amber</scp>: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems. Journal of Chemical Theory and Computation, 10(5), 2185–2193. https://doi.org/10.1021/ct500033w
DOI:
DOI: 10.1021/ct500033w
Year of publication:
2014
Authors participating in BCBHub:
Paulino Gomez-Puertas