Nicolas Tielker, Lukas Eberlein, Gerhard Hessler, K. Friedemann Schmidt, Stefan Güssregen, Stefan M. Kast. Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?. Journal of Computer-Aided Molecular Design, 35(4):453-472, 2021. [doi]
@article{TielkerEHSGK21,
title = {Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?},
author = {Nicolas Tielker and Lukas Eberlein and Gerhard Hessler and K. Friedemann Schmidt and Stefan Güssregen and Stefan M. Kast},
year = {2021},
doi = {10.1007/s10822-020-00347-5},
url = {https://doi.org/10.1007/s10822-020-00347-5},
researchr = {https://researchr.org/publication/TielkerEHSGK21},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {35},
number = {4},
pages = {453-472},
}