FIBOS: R and python packages for analyzing protein packing and structure.

Journal: Bioinformatics (Oxford, England)
Published Date: Aug 4, 2025

Abstract

MOTIVATION: Advances in prediction of the 3D structures of most known proteins through machine learning have achieved unprecedented accuracies. However, although these computed models are remarkably good, they still challenge accuracy at the atomic level. The Occluded Surface (OS) algorithm is widely used for atomic packing analysis. But it lacks implementations in high-level languages.

Authors

  • Herson H M Soares
    Institute of Technological Sciences, Federal University of Itajubá, Campus Itabira, 35903-087, Brazil.
  • João P R Romanelli
    Institute of Applied and Pure Sciences, Federal University of Itajubá, Campus Itabira, 35903-087, Brazil.
  • Patrick J Fleming
    Thomas C. Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, MD 21218, United States.
  • Carlos H da Silveira
    Institute of Technological Sciences, Federal University of Itajubá, Campus Itabira, 35903-087, Brazil.

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