Barbara Collignon, Roland Schulz, Jeremy C. Smith, Jérôme Baudry. Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers. Journal of Computational Chemistry, 32(6):1202-1209, 2011. [doi]
@article{CollignonSSB11,
title = {Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers},
author = {Barbara Collignon and Roland Schulz and Jeremy C. Smith and Jérôme Baudry},
year = {2011},
doi = {10.1002/jcc.21696},
url = {http://dx.doi.org/10.1002/jcc.21696},
tags = {C++},
researchr = {https://researchr.org/publication/CollignonSSB11},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {32},
number = {6},
pages = {1202-1209},
}