Nohad Gresh, David Perahia, Benoit de Courcy, Johanna Foret, Celine Roux, Lea El-Khoury, Jean-Philip Piquemal, Laurent Salmon. Complexes of a Zn-metalloenzyme binding site with hydroxamate-containing ligands. A case for detailed benchmarkings of polarizable molecular mechanics/dynamics potentials when the experimental binding structure is unknown. Journal of Computational Chemistry, 37(32):2770-2782, 2016. [doi]
@article{GreshPCFREPS16,
title = {Complexes of a Zn-metalloenzyme binding site with hydroxamate-containing ligands. A case for detailed benchmarkings of polarizable molecular mechanics/dynamics potentials when the experimental binding structure is unknown},
author = {Nohad Gresh and David Perahia and Benoit de Courcy and Johanna Foret and Celine Roux and Lea El-Khoury and Jean-Philip Piquemal and Laurent Salmon},
year = {2016},
doi = {10.1002/jcc.24503},
url = {http://dx.doi.org/10.1002/jcc.24503},
researchr = {https://researchr.org/publication/GreshPCFREPS16},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {37},
number = {32},
pages = {2770-2782},
}