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Reproducing Crystal Binding Modes of Ligand Functional Groups Using Site-Identification by Ligand Competitive Saturation (SILCS) Simulations

E. Prabhu Raman, Wenbo Yu, Olgun Guvench, Alexander D. MacKerell Jr.. Reproducing Crystal Binding Modes of Ligand Functional Groups Using Site-Identification by Ligand Competitive Saturation (SILCS) Simulations. Journal of Chemical Information and Computer Sciences, 51(4):877-896, 2011. [doi]

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