Advances in computational de novo protein design with fixed backbone based on muti-objective optimization and deep learning
Fixed backbone protein design generates amino acid sequences capable of folding into target protein structures by computational methods,which can be regarded as the inverse process of protein structure predic-tion.The function of proteins is closely linked to their structure;hence,protein design based on specific struc-tures plays a potential pivotal role in fields such as enzymology,vaccines,pharmaceuticals,and protein materi-als.This paper briefly introduces the principles of protein design methods and then,based on current progress in the field,discusses two main types of protein design algorithms:those based on energy function optimization and those based on deep learning.Finally,we summarize the bottleneck in the field of protein design and discuss the potential directions in this field.
protein designenergy functionmulti-objective optimizationdeep learningprotein sequence and structure
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