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Updated: Mar 19, 2026

A Protocol for Computer-Based Protein Structure and Function Prediction
Published on: November 3, 2011
Artificial intelligence methods for protein structure and interaction prediction: Recent advances and challenges
Alex Morehead1, Jian Liu2, Pawan Neupane2
1NERSC, Lawrence Berkeley National Laboratory, Berkeley, CA, 94720, USA.
Abstract:
Recent advances in artificial intelligence have introduced novel methods for high-accuracy prediction of protein tertiary structures, protein complex structures, and interactions between proteins and other biomolecules, such as small molecules and nucleic acids. Such advancements are accelerating biomedical research and the development of new protein design and bioengineering methods among many other important biotechnology applications. In this review, we outline the recent advances in protein-centric biomolecular structure and interaction prediction, highlight some major challenges in the field, and discuss potential directions to address them.
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