BioinformaticsbioRxivPreprint
Lira: Rotational Invariant Shape and ElectrostaticDescriptors for Small Molecules and ProteinPockets based on Real Spherical Harmonics
Fernando R. Caires, Samuel Reghim Silva, Marcos Veríssimo-Alves…·Rinaldo W. Montalvão
Lira provides rotational invariant descriptors for small molecules and protein pockets using real spherical harmonics, enabling efficient comparison and analysis for drug design.
DOI 10.1101/2022.01.19.476747