The XedTools provide access to XED, one of the most innovative molecular mechanics force fields in existence. XED uses off atom charges on electronegative atoms to give a more accurate representation of the charge density surrounding an atom, resulting in an improved description of molecular interactions.
The XedTools include XedeX for conformer generation and XedMin for ligand minimization.
XedeX is a force field conformation explorer that uses our unique XED force field. It is optimized to produce a diversity of energy minimized ligand conformations in a small number of conformations. XedeX performance is exceptional, reproducing the ligand bioactive conformation in 100 conformations in the majority of drug-like ligands. XedeX gives you:
XedMin enables ligand minimization with the XED force field. XedMin gives you: