LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery
Roman A. Laskowski, Mark Basil Swindells
Journal of Chemical Information and Modeling · 2011 · 6,739 citations
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.
Cite this paper
Laskowski, R. A., & Swindells, M. B. (2011). LigPlot+: Multiple Ligand–Protein interaction diagrams for drug discovery. Journal of Chemical Information and Modeling, 51(10), 2778–2786. https://doi.org/10.1021/ci200227u
Read it with every claim anchored
Add this paper to a project, ask questions of it, and get answers that point to the exact passage.
Start freeRelated papers
- A short history of SHELX2007
- AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading2009
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility2009
- SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules2017
- Overview of the CCP 4 suite and current developments2011
Metadata from OpenAlex (CC0). Citations are generated from the published record.