AI that designs proteins may discover new treatments and materials unknown to science
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“They evolved in the process of evolution to solve the problems that organisms faced in the process of evolution. But today we face new problems like covid. Evolution in the process of evolution Just as well-known proteins solve old problems, if we can design proteins that are good at solving new problems, that would be very powerful,” added Baker, who is also a co-author of the paper. .
ProteinMPNN helps researchers with protein structure in mind to find the amino acid sequences that make up that exact shape. This is done by using a neural network trained on a very large number of examples of amino acid sequences.
However, in order for researchers to reliably design proteins useful for practical applications, they must first establish which protein backbone has the function they are trying to activate.
To achieve that, they use two methods called “constrained hallucinations”. It allows users to perform random searches among all possible protein sequences, allowing them to explore the space of all possible protein structures, called ‘hallucinations’.
These two processes allow researchers to go beyond those that only exist in nature and create entirely new proteins. “Nature has only sampled … a small fraction.
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