Structural insight of the protein–protein interaction (PPI) interface can provide knowledge about the kinetics, thermodynamics and molecular functions of the complex while elucidating its role in diseases and further enabling it as a potential therapeutic target. However, owing to experimental lag in s...
TDC maintains a resource list that currently contains 22 tasks (and its datasets) related to small molecules and macromolecules, including PPI, DDI and so on. MoleculeNet published a small molecule related benchmark four years ago. In terms of datasets and benchmarks, protein design is far less...
The overall structure of a protein is determined by its fold, that is, the spatial arrangement of, and connections between, the secondary structure elements. Hundreds of thousands of naturally occurring protein structures have been solved and deposited in the Protein Data Bank (PDB), and the ...
For example, viral RdRP identification is a binary-class classification task, and protein general function annotation is a multi-label classification task. The model includes five modules: Input, Tokenizer, Encoder, Pooling, and Output. Its architecture is shown in Figure 1. Figure 1 The ...
This similarity incorporates biological knowledge about proteins and its extremely powerful when combined with support vector machine to predict PPI. Finally, the success of the PPI-PS method at predicting PPI encouraged us to plan future investigations such as optimizing the subsequence size and ...
The trained models are then used in a binary classification problem to predict the interfacial residues of each query protein using its feature vectors as inputs. Structure-based approaches depend upon the availability and quality of 3D structures, and most of these methods outperform sequence-based...
The protein Family level in SCOP is a more functionally relevant class, where each member of the Family is related and functionally similar. Below Family, there are individual domains. We applied three algorithms to find interfaces associated with SCOP. Any protein domain classification system, such...
6, 7, 8, 9, 10, 14, 20, 21 Recent research results also suggest other specific nutritional strategies to promote protein absorption and its efficient use in older people; such strategies deal with protein source, timing of intake, and specific amino acid content or supplementation.22, 23, ...
Protein-Protein Interactions (PPIs) are fundamental means of functions and signalings in biological systems. The massive growth in demand and cost associated with experimental PPI studies calls for computational tools for automated prediction and underst
Computational methods for predicting protein function are of great significance in understanding biological mechanisms and treating complex diseases. However, existing computational approaches of protein function prediction lack interpretability, making