Highly accurate computation of free energies in complex systems through horsetail QM/MM molecular dynamics combined with free-energy perturbation theory
Crossref DOI link: https://doi.org/10.1007/s00214-017-2078-y
Published Online: 2017-03-17
Published Print: 2017-04
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Martins-Costa, Marilia T. C.
Ruiz-López, Manuel F.
License valid from 2017-03-17