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title = {{Parallel implementation of electronic structure energy gradient, and Hessian calculations}},  journal = {The Journal of Chemical Physics},  }  @article{Taminau_2008,  doi = {10.1016/j.jmgm.2008.04.003},  url = {http://dx.doi.org/10.1016/j.jmgm.2008.04.003},  year = {2008},  month = {sep},  publisher = {Elsevier {BV}},  volume = {27},  number = {2},  pages = {161--169},  author = {Jonatan Taminau and Gert Thijs and Hans De Winter},  title = {{Pharao: Pharmacophore alignment and optimization}},  journal = {Journal of Molecular Graphics and Modelling},  }