BINANA 2: Characterizing Receptor/Ligand Interactions in Python and JavaScript

J Chem Inf Model. 2022 Feb 28;62(4):753-760. doi: 10.1021/acs.jcim.1c01461. Epub 2022 Feb 7.

Abstract

BINding ANAlyzer (BINANA) is an algorithm for identifying and characterizing receptor/ligand interactions and other factors that contribute to binding. We recently updated BINANA to make the algorithm more accessible to a broader audience. We have also ported the Python3 codebase to JavaScript, thus enabling BINANA analysis in the web browser. As proof of principle, we created a web-browser application so students and chemical-biology researchers can quickly visualize receptor/ligand complexes and their unique binding interactions.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Algorithms*
  • Humans
  • Internet
  • Ligands
  • Software*
  • Web Browser

Substances

  • Ligands