Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores

Mark L. Benson, John C. Faver, Melek N. Ucisik, Danial S. Dashti, Zheng Zheng, Kenneth M. Merz Jr.. Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores. Journal of Computer-Aided Molecular Design, 26(5):647-659, 2012. [doi]

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