LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

A. Laskowski, Roman; B. Swindells, Mark

doi:10.1021/ci200227u

Public

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

Published in Journal of Chemical Information and Modeling • Oct 5, 2011

Authors:

Roman A. Laskowski

Mark B. Swindells

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. Th...

Subject

Ligand (biochemistry)

Drug discovery

Protein–protein interaction

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