A comprehensive survey of scoring functions for protein docking models
A comprehensive survey of scoring functions for protein docking models
Abstract Background While protein-protein docking is fundamental to our understanding of how proteins interact, scoring protein-protein complex conformations is a critical component of successful docking programs. Without accurate and efficient scoring functions to differentiate between native and non-native binding complexes, the accuracy of current docking tools cannot be guaranteed. Although many innovative scoring functions have been proposed, a good scoring function for docking remains elusive. Deep learning models offer alternatives to using explicit empirical or mathematical functions for scoring protein-protein complexes. Results In this study, we perform a comprehensive survey of the state-of-the-art scoring functions by considering the most popular and highly performant approaches, both classical and deep learning-based, for scoring protein-protein complexes. The methods were also compared based on their runtime as it directly impacts their use in large-scale docking applications. Conclusions We evaluate the strengths and weaknesses of classical and deep learning-based approaches across seven public and popular datasets to aid researchers in understanding the progress made in this field.
- University of Illinois at Urbana Champaign United States
- Florida International University United States
Protein-protein interactions, QH301-705.5, Protein Conformation, Research, Computer applications to medicine. Medical informatics, R858-859.7, Proteins, Computational Biology, Deep learning, Protein surface properties, Molecular Docking Simulation, Deep Learning, Scoring functions, Molecular docking, Computational structural biology, Biology (General), Databases, Protein, Protein Binding
Protein-protein interactions, QH301-705.5, Protein Conformation, Research, Computer applications to medicine. Medical informatics, R858-859.7, Proteins, Computational Biology, Deep learning, Protein surface properties, Molecular Docking Simulation, Deep Learning, Scoring functions, Molecular docking, Computational structural biology, Biology (General), Databases, Protein, Protein Binding
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