Computational structural biology of proteins has developed rapidly in recent decades with the development of new computational tools and the advancement of computing hardware. However, while these techniques have widely been used to make advancements in human medicine, these methods have seen less utilization in the plant sciences. In the last several years, machine learning methods have gained popularity in computational structural biology. These methods have enabled the development of new tools which are able to address the major challenges that have hampered the wide adoption of the computational structural biology of plants. This perspective examines the remaining challenges in computational structural biology and how the development of machine learning techniques enables more in-depth computational structural biology of plants.
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April 2022
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Cleavage of the peptide substrate by SARS-CoV-2 3CLpro causes the gold nanoparticles to aggregate and elicits a distinctive red to blue colour change, which can be seen by eye and quantified by the A625/A525 ratio. This highlights the potential for further development as a novel diagnostic test for SARS-CoV-2 infection at the point-of-care.
Perspective|
April 29 2022
Integration of machine learning with computational structural biology of plants
Jiming Chen
;
Jiming Chen
1Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801, U.S.A.
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Diwakar Shukla
1Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801, U.S.A.
2Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, U.S.A.
3National Center for Supercomputing Applications, University of Illinois, Urbana, IL 61801, U.S.A.
4Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, U.S.A.
5NIH Center for Macromolecular Modeling and Bioinformatics, University of Illinois at Urbana-Champaign, Urbana, IL 61801, U.S.A.
6Department of Plant Biology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, U.S.A.
Correspondence: Diwakar Shukla (diwakar@illinois.edu)
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Biochem J (2022) 479 (8): 921–928.
Article history
Received:
December 17 2021
Revision Received:
April 01 2022
Accepted:
April 06 2022
Citation
Jiming Chen, Diwakar Shukla; Integration of machine learning with computational structural biology of plants. Biochem J 29 April 2022; 479 (8): 921–928. doi: https://doi.org/10.1042/BCJ20200942
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