I wanted to convert few 2D compounds to 3D using Avogadro and then use them for docking. Are these ligands efficient for docking? Will I get accurate results. Thank you in advance.
Dear Akhilesh Naik , It actually depends on the purpose of your research. If it is only for docking purpose, optimization through Avogadro might work. But, I have seen in most of the high quality articles, researchers using Gaussian for energy optimization of small molecules before docking. In fact, if you are adding QSAR studies in your research, then optimization through Gaussian is better.