@InProceedings{engler_et_al:LIPIcs.WABI.2018.16,
author = {Engler, Martin S. and Caron, Bertrand and Veen, Lourens and Geerke, Daan P. and Mark, Alan E. and Klau, Gunnar W.},
title = {{Multiple-Choice Knapsack for Assigning Partial Atomic Charges in Drug-Like Molecules}},
booktitle = {18th International Workshop on Algorithms in Bioinformatics (WABI 2018)},
pages = {16:1--16:13},
series = {Leibniz International Proceedings in Informatics (LIPIcs)},
ISBN = {978-3-95977-082-8},
ISSN = {1868-8969},
year = {2018},
volume = {113},
editor = {Parida, Laxmi and Ukkonen, Esko},
publisher = {Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik},
address = {Dagstuhl, Germany},
URL = {https://drops.dagstuhl.de/entities/document/10.4230/LIPIcs.WABI.2018.16},
URN = {urn:nbn:de:0030-drops-93187},
doi = {10.4230/LIPIcs.WABI.2018.16},
annote = {Keywords: Multiple-choice knapsack, integer linear programming, pseudo-polynomial dynamic programming, partial charge assignment, molecular dynamics simulations}
}