Scoring Functions - Methods to Estimate Ligand-Receptor Binding

In this template, the lead compound fragment and the two pharmacophoric groups are separated by wildcard designations that denote where chemical variability can occur. 

For example, to calculate the steric interaction energy, we simply sum up the number of receptor atoms that are within a specific distance (i.e., 5 A) away from any ligand 

Nonpolar-nonpolar interaction energy Nonpolar atom fraction 

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Scoring Functions - Methods to Estimate Ligand-Receptor Binding 209... 

Scoring Functions - Methods to Estimate Ligand-Receptor Binding 211 Tab. 8.3 RACHEL descriptors used to generate scoring functions... 

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