Martin Amezcua, Lea El-Khoury, David L. Mobley. SAMPL7 Host-Guest Challenge Overview: assessing the reliability of polarizable and non-polarizable methods for binding free energy calculations. Journal of Computer-Aided Molecular Design, 35(1):1-35, 2021. [doi]
@article{AmezcuaEM21,
title = {SAMPL7 Host-Guest Challenge Overview: assessing the reliability of polarizable and non-polarizable methods for binding free energy calculations},
author = {Martin Amezcua and Lea El-Khoury and David L. Mobley},
year = {2021},
doi = {10.1007/s10822-020-00363-5},
url = {https://doi.org/10.1007/s10822-020-00363-5},
researchr = {https://researchr.org/publication/AmezcuaEM21},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {35},
number = {1},
pages = {1-35},
}