Goutam Mukherjee, Niladri Patra, Poranjyoti Barua, B. Jayaram. A fast empirical GAFF compatible partial atomic charge assignment scheme for modeling interactions of small molecules with biomolecular targets. Journal of Computational Chemistry, 32(5):893-907, 2011. [doi]
@article{MukherjeePBJ11,
title = {A fast empirical GAFF compatible partial atomic charge assignment scheme for modeling interactions of small molecules with biomolecular targets},
author = {Goutam Mukherjee and Niladri Patra and Poranjyoti Barua and B. Jayaram},
year = {2011},
doi = {10.1002/jcc.21671},
url = {http://dx.doi.org/10.1002/jcc.21671},
tags = {empirical, modeling},
researchr = {https://researchr.org/publication/MukherjeePBJ11},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {32},
number = {5},
pages = {893-907},
}