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Are FlexX Units kJ/mol or kcal/mol
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FlexX uses the units the Boehm LUDI paper works with; 
these are kJ/mol.

However, for example, the max. achievable value of 4.7 kJ/mol
per hydrogen bond is not the absolute value of the hydrogen bond energy (that would be a bit small) but instead, it corresponds to the contribution of the hydrogen bond compared from a situation in solution to the protein ligand complex.
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Last modified Wednesday, 08. Sep 2010 15:45 CEST by WebMaster