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  • Title: LigPlot+: multiple ligand-protein interaction diagrams for drug discovery.
    Author: Laskowski RA, Swindells MB.
    Journal: J Chem Inf Model; 2011 Oct 24; 51(10):2778-86. PubMed ID: 21919503.
    Abstract:
    We describe a graphical system for automatically generating multiple 2D diagrams of ligand-protein interactions from 3D coordinates. The diagrams portray the hydrogen-bond interaction patterns and hydrophobic contacts between the ligand(s) and the main-chain or side-chain elements of the protein. The system is able to plot, in the same orientation, related sets of ligand-protein interactions. This facilitates popular research tasks, such as analyzing a series of small molecules binding to the same protein target, a single ligand binding to homologous proteins, or the completely general case where both protein and ligand change.
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