3D Alignment function of RDKit #RDKit

During the UGM, I was interested in Ben Tehan & Rob Smith’s great work. They showed me a nice example of molecular alignment with RDKit. RDKit has several function to perform 3D alignment. In the Drug Discovery 3D alignment of ligands is important not only Comp Chem but also Med Chem. After their presentation, IContinue reading “3D Alignment function of RDKit #RDKit”