Communications of the ACM
Computer Software Program Allows Observation of Viruses
New Mexico State University computer science professors Enrico Pontelli and Son Cao Tran examine viral structures on computers using a computer software program they created to observe models of unknown large proteins more efficiently.
Credit: Darren Phillips / New Mexico State University
Two New Mexico State University (NMSU) scientists have developed software that generates approximate three-dimensional models of complex and unknown proteins, which could help researchers find treatments and cures for viruses. The software, developed by NMSU professor Son Cao Tran and researcher Enrico Pontelli, simulates how atoms interact and behave in nature. "The knowledge of three-dimensional structures of the viruses is essential for understanding the pathogenesis of the viruses and antiviral drug design," Pontelli says.
The program can generate libraries of commonly understood structures, making it easier to study specific viruses. "Using programming techniques to generate clean and compact code and to enable rapid prototyping, the problem of assembling substructures is efficiently tackled using the solving techniques provided by constraint programming systems," Tran says.
The researchers say the program also cuts the expense of lab equipment and sidesteps some technical issues scientists may face using traditional microscopes.
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