<p>Cellular evolutionary algorithms (cEAs) use structured populations whose evolutionary cycle is governed by local interactions among individuals. This helps to prevent the premature convergenc
PDBbind v.2013 core set manually curated to optimize the hydrogen bond network considering protein and ligand protonation states. The description of this dataset preparation is published in the follow
Monte Carlo optimization maximized the enrichment over the Rosetta model set. Loop closure, AA pair and SSE clash weights were set to 500. This weight set was used to calculate the score sum, as used
