AIMC Topic: Protein Folding

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Self-driving microscopy detects the onset of protein aggregation and enables intelligent Brillouin imaging.

Nature communications Jul 24, 2025
The process of protein aggregation, central to neurodegenerative diseases like Huntington's, is challenging to study due to its unpredictable nature and relatively rapid kinetics. Understanding its biomechanics is crucial for unraveling its role in d...
Microscopy, Fluorescence Huntington Disease Neurodegenerative Diseases Protein Aggregation, Pathological Protein Folding Microscopy Protein Aggregates Humans Neural Networks, Computer Deep Learning Kinetics
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Navigating protein landscapes with a machine-learned transferable coarse-grained model.

Nature chemistry Jul 18, 2025
The most popular and universally predictive protein simulation models employ all-atom molecular dynamics, but they come at extreme computational cost. The development of a universal, computationally efficient coarse-grained (CG) model with similar pr...
Thermodynamics Protein Folding Molecular Dynamics Simulation Protein Conformation Machine Learning Proteins
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Assisting and accelerating NMR assignment with restrained structure prediction.

Communications biology Jul 18, 2025
Accurate dynamic protein structures are essential for drug design. NMR experiments can detect protein structures and potential dynamics, but the spectrum assignment and structure determination requires expertise and is time-consuming, while deep-lear...
Protein Conformation Nuclear Magnetic Resonance, Biomolecular Magnetic Resonance Spectroscopy Proteins Models, Molecular Protein Folding
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AF3Score: A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation.

Journal of chemical information and modeling Jul 16, 2025
Scoring biomolecular complexes remains central to structural modeling efforts. Recent studies suggest that AlphaFold (AF) - a revolutionary deep learning model for biomolecular structure prediction - has implicitly learned an approximate biophysical ...
Deep Learning Protein Binding Ligands Protein Conformation Protein Folding Proteins Models, Molecular
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End looms for protein contest?

Science (New York, N.Y.) Jul 10, 2025
NIH has not committed to continuing support for contest that inspired AI tools for predicting how proteins would fold.
Proteins Protein Folding National Institutes of Health (U.S.) Artificial Intelligence United States
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Mapping the Conformational Heterogeneity Intrinsic to the Protein Native Ensemble.

Biochemistry Jul 4, 2025
In the AlphaFold era, there is a significant momentum in predicting protein structures, functionality, and mutational hotspots from deep learning approaches. In this review, we highlight how structural information is only a starting point in understa...
Protein Conformation Protein Folding Proteins Humans Models, Molecular
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AbEpiTope-1.0: Improved antibody target prediction by use of AlphaFold and inverse folding.

Science advances Jun 13, 2025
B cell epitope prediction tools are crucial for designing vaccines and disease diagnostics. However, predicting which antigens a specific antibody binds to and their exact binding sites (epitopes) remains challenging. Here, we present AbEpiTope-1.0, ...
Humans Software Computational Biology Machine Learning Antigens Models, Molecular Protein Folding Antigen-Antibody Complex Antibodies Epitopes, B-Lymphocyte
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Reliable protein-protein docking with AlphaFold, Rosetta, and replica exchange.

eLife May 27, 2025
Despite the recent breakthrough of AlphaFold (AF) in the field of protein sequence-to-structure prediction, modeling protein interfaces and predicting protein complex structures remains challenging, especially when there is a significant conformation...
Protein Binding Protein Folding Software Computational Biology Proteins Algorithms Protein Conformation Molecular Docking Simulation
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Structural Biology in the AlphaFold Era: How Far Is Artificial Intelligence from Deciphering the Protein Folding Code?

Biomolecules May 6, 2025
Proteins are biomolecules characterized by uncommon chemical and physicochemical complexities coupled with extreme responsiveness to even minor chemical modifications or environmental variations. Since the shape that proteins assume is fundamental fo...
Proteins Machine Learning Humans Protein Folding Protein Conformation Models, Molecular Computational Biology Artificial Intelligence
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Frustration in physiology and molecular medicine.

Molecular aspects of medicine Apr 23, 2025
Molecules provide the ultimate language in terms of which physiology and pathology must be understood. Myriads of proteins participate in elaborate networks of interactions and perform chemical activities coordinating the life of cells. To perform th...
Molecular Medicine Protein Conformation Protein Folding Gene Regulatory Networks Proteins Humans Animals
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