Figure_3.tif (535.17 kB)
Residues contribution to Binding affinity.
figure
posted on 2014-06-04, 14:43 authored by Vasanthanathan Poongavanam, Casper SteinmannCasper Steinmann, Jacob KongstedResidue energy contribution to the overall binding affinity from the FMO calculation (only significant numbers are shown) is shown for representative compounds. All values are provided in kcal/mol.