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title = {{Application of the {PM}6 method to modeling proteins}},  journal = {Journal of Molecular Modeling},  }  @article{Ugur_2014,  doi = {10.1021/ci500079w},  url = {http://dx.doi.org/10.1021/ci500079w},  year = {2014},  month = {aug},  publisher = {American Chemical Society ({ACS})},  volume = {54},  number = {8},  pages = {2200--2213},  author = {Ilke Ugur and Antoine Marion and St{\'{e}}phane Parant and Jan H. Jensen and Gerald Monard},  title = {{Rationalization of the p K a Values of Alcohols and Thiols Using Atomic Charge Descriptors and Its Application to the Prediction of Amino Acid p K a 's}},  journal = {Journal of Chemical Information and Modeling},  }