10.1371/journal.pone.0075992.g007 Ryan G. Coleman Ryan G. Coleman Michael Carchia Michael Carchia Teague Sterling Teague Sterling John J. Irwin John J. Irwin Brian K. Shoichet Brian K. Shoichet Ligand Building Explanations. Public Library of Science 2013 2013-10-01 02:20:10 Figure https://plos.figshare.com/articles/figure/_Ligand_Building_Explanations_/812348 <p>At left, several conformations of a ligand built with electrostatics off. At right the same ligand built with electrostatics on. The MMFF94S energies from OMEGA are shown below each pose. The bottom conformation on either side is the lowest energy conformation according to either energy function. The scales at either side are the differences in energy score from the best conformation to the shown conformation, this is the energy window used in construction.</p>