Anikó Udvarhelyi, Stephane Rodde, Rainer Wilcken. ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules. Journal of Computer-Aided Molecular Design, 35(4):399-415, 2021. [doi]
@article{UdvarhelyiRW21,
title = {ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules},
author = {Anikó Udvarhelyi and Stephane Rodde and Rainer Wilcken},
year = {2021},
doi = {10.1007/s10822-020-00337-7},
url = {https://doi.org/10.1007/s10822-020-00337-7},
researchr = {https://researchr.org/publication/UdvarhelyiRW21},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {35},
number = {4},
pages = {399-415},
}