Protein fold recognition is a critical step in protein structure and function prediction, and aims to ascertain the most likely fold type of the query protein. As a typical pattern recognition problem, designing a powerful feature extractor and metri...
Natural compounds constitute a rich resource of potential small molecule therapeutics. While experimental access to this resource is limited due to its vast diversity and difficulties in systematic purification, computational assessment of structural...
The structure of a protein plays a pivotal role in determining its function. Often, the protein surface's shape and curvature dictate its nature of interaction with other proteins and biomolecules. However, marked by corrugations and roughness, a pro...
Protein is the material foundation of living things, and it directly takes part in and runs the process of living things itself. Predicting protein complexes helps us understand the structure and function of complexes, and it is an important foundati...
BACKGROUND: Estimation of the accuracy (quality) of protein structural models is important for both prediction and use of protein structural models. Deep learning methods have been used to integrate protein structure features to predict the quality o...
Current opinion in structural biology
Apr 15, 2022
Machine learning methods, in particular convolutional neural networks, have been applied to a variety of problems in cryo-EM and macromolecular crystallographic structure solution. However, they still have only limited acceptance by the community, ma...
This paper proposes a rapid, label-free, and non-invasive approach for identifying murine cancer cells (B16F10 melanoma cancer cells) from non-cancer cells (C2C12 muscle cells) using machine-learning-assisted Raman spectroscopic imaging. Through quic...
IEEE journal of biomedical and health informatics
Apr 14, 2022
Identification of interactions between drugs and target proteins plays a critical role not only in drug discovery but also in drug repositioning. Deep integration of inter-connections and intra-similarities between heterogeneous multi-source data abo...
In the living cells, proteins bind small molecules (or "ligands") through a "conformational selection" mechanism, where a subset of protein structures are capable of binding the small molecules well while most other protein structures are not capable...
International journal of molecular sciences
Apr 12, 2022
Protein phosphorylation is one of the most critical post-translational modifications of proteins in eukaryotes, which is essential for a variety of biological processes. Plenty of attempts have been made to improve the performance of computational pr...
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