Maximiliano Riquelme, Esteban Vöhringer-Martinez. SAMPL6 Octanol-water partition coefficients from alchemical free energy calculations with MBIS atomic charges. Journal of Computer-Aided Molecular Design, 34(4):327-334, 2020. [doi]
@article{RiquelmeV20,
title = {SAMPL6 Octanol-water partition coefficients from alchemical free energy calculations with MBIS atomic charges},
author = {Maximiliano Riquelme and Esteban Vöhringer-Martinez},
year = {2020},
doi = {10.1007/s10822-020-00281-6},
url = {https://doi.org/10.1007/s10822-020-00281-6},
researchr = {https://researchr.org/publication/RiquelmeV20},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {34},
number = {4},
pages = {327-334},
}