Multi-phase Boltzmann weighting: accounting for local inhomogeneity in molecular simulations of water–octanol partition coefficients in the SAMPL6 challenge
Crossref DOI link: https://doi.org/10.1007/s10822-020-00285-2
Published Online: 2020-02-14
Published Print: 2020-05
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Krämer, Andreas http://orcid.org/0000-0002-7699-3083
Hudson, Phillip S.
Jones, Michael R.
Brooks, Bernard R.
Text and Data Mining valid from 2020-02-14
Version of Record valid from 2020-02-14
Article History
Received: 15 October 2019
Accepted: 8 January 2020
First Online: 14 February 2020