Gerhard König, Frank C. Pickard IV, Ye Mei, Bernard R. Brooks. Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4. Journal of Computer-Aided Molecular Design, 28(3):245-257, 2014. [doi]
@article{KonigPMB14,
title = {Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4},
author = {Gerhard König and Frank C. Pickard IV and Ye Mei and Bernard R. Brooks},
year = {2014},
doi = {10.1007/s10822-014-9708-4},
url = {http://dx.doi.org/10.1007/s10822-014-9708-4},
researchr = {https://researchr.org/publication/KonigPMB14},
cites = {0},
citedby = {0},
journal = {Journal of Computer-Aided Molecular Design},
volume = {28},
number = {3},
pages = {245-257},
}