On the fly estimation of host–guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge
Crossref DOI link: https://doi.org/10.1007/s10822-016-9980-6
Published Online: 2016-10-03
Published Print: 2017-01
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Bansal, Nupur
Zheng, Zheng
Cerutti, David S.
Merz, Kenneth M.
License valid from 2016-10-03