Proteins with desired functions and properties are important in fields like nanotechnology and biomedicine. De novo protein design enables the production of previously unseen proteins from the ground up and is believed as a key point for handling real social challenges. Recent introduction of deep learning into design methods exhibits a transformative influence and is expected to represent a promising and exciting future direction. In this review, we retrospect the major aspects of current advances in deep-learning-based design procedures and illustrate their novelty in comparison with conventional knowledge-based approaches through noticeable cases. We not only describe deep learning developments in structure-based protein design and direct sequence design, but also highlight recent applications of deep reinforcement learning in protein design. The future perspectives on design goals, challenges and opportunities are also comprehensively discussed.
Predicting protein structure from the amino acid sequence has been a challenge with theoretical and practical significance in biophysics. Despite the recent progresses elicited by improved inter-residue contact prediction, contact-based structure prediction has gradually reached the performance ceiling. New methods have been proposed to predict the inter-residue distance, but unanimously by simplifying the real-valued distance prediction into a multiclass classification problem. Here, a lightweight regression-based distance prediction method is shown, which adopts the generative adversarial network to capture the delicate geometric relationship between residue pairs and thus could predict the continuous, real-valued inter-residue distance rapidly and satisfactorily. The predicted residue distance map allows quick structure modeling by the CNS suite, and the constructed models approach the same level of quality as the other state-of-the-art protein structure prediction methods when tested on CASP13 targets. Moreover, this method can be used directly for the structure prediction of membrane proteins without transfer learning.
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