GDFold2: a fast and parallelizable protein folding environment with freely defined objective functions
Tianyu Mi,
Haipeng Gong
Abstract:An important step of mainstream protein structure prediction is to model the 3D protein structure based on the predicted 2D inter-residue geometric information. This folding step has been integrated into a unified neural network to allow end-to-end training in state-of-the-art methods like AlphaFold2, but is separately implemented using the Rosetta folding environment in some traditional methods like trRosetta. Despite the inferiority in prediction accuracy, the traditional approach allows sampling various pro… Show more
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