Physical chemistry chemical physics : PCCP
Jan 14, 2026
Recent advances in machine learning and self-supervised deep language modeling have made it possible to accurately predict protein structural properties. Most existing models and pretraining methods leverage evolutionary information in multiple seque...
In this study, we developed an image-recognition-based deep-learning method for accurately predicting the DSSP (define secondary structures of proteins) parameters from a circular dichroism (CD) spectrum. Focusing on the inherently high image-recogni...
Quantifying nanoscale protein secondary structure in aqueous solutions is crucial for understanding protein interactions and dynamics. Deep learning models are adept at predicting protein secondary structures, but their ability to model them in aqueo...
The secondary structure of a protein serves as the foundation for constructing its three-dimensional (3D) structure, which in turn is critical for determining its function and role in biological processes. Therefore, accurately predicting secondary s...
Journal of chemical information and modeling
Jan 21, 2025
With the resolution revolution of cryo-electron microscopy (cryo-EM) and the rapid development of image processing technology, cryo-EM has become an indispensable experimental method for determining the three-dimensional structures of biological macr...
International journal of molecular sciences
Jan 9, 2025
We test here the prediction capabilities of the new generation of deep learning predictors in the more challenging situation of multistate multidomain proteins by using as a case study a coiled-coil family of Nucleotide-binding Oligomerization Domain...
International journal of molecular sciences
Dec 27, 2024
Accurately predicting protein secondary structure (PSSP) is crucial for understanding protein function, which is foundational to advancements in drug development, disease treatment, and biotechnology. Researchers gain critical insights into protein f...
Journal of chemical theory and computation
Dec 19, 2024
Helices are important secondary structural motifs within proteins and are pivotal in numerous physiological processes. While amino acids (AA) such as alanine and leucine are known to promote helix formation, proline and glycine disfavor it. Helical s...
Protein secondary structure prediction (PSSP) plays a crucial role in resolving protein functions and properties. Significant progress has been made in this field in recent years, and the use of a variety of protein-related features, including amino ...
Chemical structures of protein surfaces govern intermolecular interaction, and protein functions include specific molecular recognition, transport, self-assembly, etc. Therefore, the relationship between the chemical structure and protein functions p...
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