Prediction and analysis of binding affin
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Miguel Arenas; M. Carmen Villaverde; Fredy Sussman
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Article
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2009
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John Wiley and Sons
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English
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## Abstract One of the biggest challenges in the โ__in silico__โ screening of enzyme ligands is to have a protocol that could predict the ligand binding free energies. In our group we have developed a very simple screening function (referred to as solvent accessibility free energy of binding predic