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Covid-19: Future targets for treatments rapidly identified with new computer simulations


Researchers have detailed a mechanism in the distinctive corona of Covid-19 that could help scientists to rapidly find new treatments for the virus, and quickly test whether existing treatments are likely to work with mutated versions as they develop.
The team, led by the University of Warwick as part of the EUTOPIA community of European universities, have simulated movements in nearly 300 protein structures of the Covid-19 virus spike protein by using computational modelling techniques, in an effort to help identify promising drug targets for the virus.
In a new paper published today (19 February) in the journal
Scientific Reports, the team of physicists and life scientists detail the methods they used to model the flexibility and dynamics of all 287 protein structures for the Covid-19 virus, also known as SARS-CoV-2, identified so far. Just like organisms, viruses are composed of proteins, large biomolecules that perform a variety of functions. The scientists believ ....

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Scientists use computer simulations to identify future targets for treatment of Covid-19


Scientists use computer simulations to identify future targets for treatment of Covid-19
University of Warwick scientists model movements of nearly 300 protein structures in Covid-19. Scientists can use the simulations to identify potential targets to test with existing drugs, and even check effectiveness with future Covid variants.
Simulation of virus spike protein, part of the virus s corona , shows a promising mechanism that could potentially be blocked. Researchers have publicly released data on all protein structures to aid efforts to find potential drug targets.
Researchers have detailed a mechanism in the distinctive corona of Covid-19 that could help scientists to rapidly find new treatments for the virus, and quickly test whether existing treatments are likely to work with mutated versions as they develop. ....

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