@inproceedings{H{\"u}lsmannKirschnerKr{\"a}meretal.2016, author = {H{\"u}lsmann, Marco and Kirschner, Karl N. and Kr{\"a}mer, Andreas and Heinrich, Doron D. and Kr{\"a}mer-Fuhrmann, Ottmar and Reith, Dirk}, title = {Optimizing Molecular Models Through Force-Field Parameterization via the Efficient Combination of Modular Program Packages}, booktitle = {Snurr, Adjiman et al. (Eds.): Foundations of molecular modeling and simulation. Select papers from FOMMS 2015}, isbn = {978-981-10-1126-9}, doi = {10.1007/978-981-10-1128-3_4}, institution = {Fachbereich Informatik}, pages = {53 -- 77}, year = {2016}, language = {en} }