Journal of Computer-Aided Molecular Design (2017) - Comments
pubmed: 27677749  doi: 10.1007/s10822-016-9968-2  issn: 0920-654x  issn: 1573-4951 

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Juyong Lee, Florentina Tofoleanu, Frank C. Pickard, Gerhard König, Jing Huang, Ana Damjanović, Minkyung Baek, Chaok Seok, Bernard R. Brooks