Abstract
Background: Recent progress in protein structure prediction by AlphaFold has opened new avenues to decipher biological functions from the perspective of structural biology based on the proteomics level.
Methods: To meet these challenges, in this perspective, three scales of networks for protein structures, including structural protein-protein networks, protein structural networks, and elastic network models were introduced for high-throughput modeling of protein functional sites and protein dynamics.
Conclusion: In the post-AlphaFold era, it is assumed that the integration of biomolecular networks may be leveraged in the future to develop a modeling framework that addresses protein structure-based functions with the application in drug discovery.
Keywords: Structural systems biology, network biology, structural proteome, protein dynamics, functional sites, biomolecular networks.
Graphical Abstract
[http://dx.doi.org/10.1038/s41586-021-03819-2] [PMID: 34265844]
[http://dx.doi.org/10.1038/s41586-021-03828-1] [PMID: 34293799]
[http://dx.doi.org/10.1021/acs.jcim.9b01164] [PMID: 32129623]
[http://dx.doi.org/10.1016/j.physrep.2019.12.004]
[http://dx.doi.org/10.1016/j.copbio.2020.02.005] [PMID: 32199228]
[http://dx.doi.org/10.2174/1574893615999201116210840]
[http://dx.doi.org/10.1093/bib/bbz011] [PMID: 30753282]
[http://dx.doi.org/10.2174/1574893615999200605143510]
[http://dx.doi.org/10.3389/fgene.2021.706260] [PMID: 34234818]
[http://dx.doi.org/10.1016/j.sbi.2015.03.001] [PMID: 25796032]
[http://dx.doi.org/10.1038/nrm1859] [PMID: 16496021]
[http://dx.doi.org/10.1016/j.bpj.2015.06.048] [PMID: 26276688]
[http://dx.doi.org/10.1186/s12918-016-0271-6] [PMID: 26969117]
[http://dx.doi.org/10.2174/1568026618666180719152258] [PMID: 30027851]
[http://dx.doi.org/10.1093/bib/bbz029] [PMID: 30911759]
[http://dx.doi.org/10.1016/j.jbc.2021.100562] [PMID: 33744294]
[http://dx.doi.org/10.3390/cells10020402] [PMID: 33669233]
[http://dx.doi.org/10.1093/bioinformatics/btv142] [PMID: 25765346]
[http://dx.doi.org/10.1093/bioinformatics/btw153] [PMID: 27153707]
[http://dx.doi.org/10.2174/1574893611666160602124707]
[http://dx.doi.org/10.2174/1574893611666160502122132]
[http://dx.doi.org/10.2174/1574893614666191113143840]
[http://dx.doi.org/10.1021/acs.jcim.8b00146] [PMID: 30107728]
[http://dx.doi.org/10.1073/pnas.1715896115] [PMID: 29610305]
[http://dx.doi.org/10.1093/nar/gkx385] [PMID: 28472330]
[http://dx.doi.org/10.1038/s41467-021-21770-8] [PMID: 33741907]
[http://dx.doi.org/10.1126/science.abj8754] [PMID: 34282049]
[http://dx.doi.org/10.1093/bib/bbaa043] [PMID: 32363401]