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title = {{Binding affinities in the {SAMPL}3 trypsin and host{\textendash}guest blind tests estimated with the {MM}/{PBSA} and {LIE} methods}},  journal = {Journal of Computer-Aided Molecular Design},  }  @article{17149872,  title = {{Protein-ligand binding affinity predictions by implicit solvent simulations: a tool for lead optimization?}},  date = {2006 Dec 14},  source = {J Med Chem},  authors = {Michel, J and Verdonk, ML and Essex, JW},  author = {Michel, J and Verdonk, ML and Essex, JW},  year = {2006},  month = {Dec},  journal = {J Med Chem},  volume = {49},  number = {},  pages = {7427-39},  pubmed_id = {17149872},  }