Center for the Study of Systems Biology

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IS-score: a tool for assessing protein complex models

IS-score is a tool for evaluating the quality of structural models of protein-protein complexes. One can perform pairwise comparison (i.e, model vs target structure), or compare a set of models against their corresponding target structure, which is usually a crystal structure from an experimental study. Two metrics, the Interface Similarity score (IS-score) and the interfacial Template Modeling score (iTM-score), are implemented to evaluate the interface similarity between a docking model and its target. Note that the IS-score evaluation requires a sequence correspondence between the model and the target structure. Usually the two structures have identical sequences, though gaps are allowed. If you want to compare complex structures without predefined sequence correspondence, consider iAlign, which returns an optimal interface alignment using the complex structures. Details of the IS-score program can be found in the following references:

Mu Gao and Jeffrey Skolnick, 2011, New benchmark metrics for protein-protein docking methods. Proteins. Proteins: Structure, Function, and Bioinformatics. 79(5):1623-1634. PDF

This software is freely available to ALL users.

Download Software

  • Source code and executable v1.1 (64bit Linux)

Benchmark Data Sets

  • Docking set
  • Docking models (308 MB)
  • Skolnick Research Group
    • Jeffrey Skolnick
    • Maximilian Brogi
    • Brendon Cara
    • Chad Choudhry
    • Brice Edelman
    • Jonathan Feldman
    • Jessica Gilmore Forness
    • Bartosz Ilkowski
    • Preetam Jukalkar
    • Giselle McPhilliamy
    • Asha Mira Rao
    • Hargobind Singh
    • Kyle Xu
    • Hongyi Zhou
    • Former Group Members
  • Software and Services
    • Services
      • DESTINI
      • DR. PRODIS
      • ENTPRISE
      • ENTPRISE-X
      • FINDSITEcomb
      • FINDSITEcomb2.0
      • FRAGSITE
      • FRAGSITE2
      • FRAGSITEcombM
      • Know-GENE
      • LeMeDISCO
      • MEDICASCY
      • MOATAI-VIR
      • PHEVIR
      • PICMOA
    • Downloads
      • AF2Complex
      • AF3Complex
      • APoc
      • Cavitator
      • DBD-Hunter
      • DBD-Threader
      • EFICAz2.5
      • Fr-TM-align
      • GOAP
      • iAlign
      • IS-score
      • LIGSIFT
      • MENDELSEEK
      • PULCHRA
      • SAdLSA
      • Valsci
    • Databases
      • Apo and Holo Pairs
      • New Human GPCR Modeling and Virtual Screening
      • PDB-like Structures
    • Simulations
      • E. coli Intracellular Dynamics

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