Shujie Fan, Hristo Nedev, Ranjit Vijayan, Bogdan I. Iorga, Oliver Beckstein. Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules. Journal of Computer-Aided Molecular Design, 35(7):853-870, 2021. [doi]
@article{FanNVIB21,
title = {Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules},
author = {Shujie Fan and Hristo Nedev and Ranjit Vijayan and Bogdan I. Iorga and Oliver Beckstein},
year = {2021},
doi = {10.1007/s10822-021-00407-4},
url = {https://doi.org/10.1007/s10822-021-00407-4},
researchr = {https://researchr.org/publication/FanNVIB21},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {35},
number = {7},
pages = {853-870},
}