Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations
Crossref DOI link: https://doi.org/10.1007/s10822-017-0083-9
Published Online: 2017-11-13
Published Print: 2018-01
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Mey, Antonia S. J. S.
Jiménez, Jordi Juárez
Michel, Julien
Funding for this research was provided by:
Royal Society
FP7 Ideas: European Research Council (336289)
H2020 Marie Sklodowska-Curie Actions (655677)
License valid from 2017-11-13