Hari S. Muddana, Neil V. Sapra, Andrew T. Fenley, Michael K. Gilson. The SAMPL4 hydration challenge: evaluation of partial charge sets with explicit-water molecular dynamics simulations. Journal of Computer-Aided Molecular Design, 28(3):277-287, 2014. [doi]
@article{MuddanaSFG14,
title = {The SAMPL4 hydration challenge: evaluation of partial charge sets with explicit-water molecular dynamics simulations},
author = {Hari S. Muddana and Neil V. Sapra and Andrew T. Fenley and Michael K. Gilson},
year = {2014},
doi = {10.1007/s10822-014-9714-6},
url = {http://dx.doi.org/10.1007/s10822-014-9714-6},
researchr = {https://researchr.org/publication/MuddanaSFG14},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {28},
number = {3},
pages = {277-287},
}