Combinatorial chemistry & high throughput screening
Jan 1, 2020
BACKGROUND: Evidence have increasingly indicated that for human disease, cell metabolism are deeply associated with proteins. Structural mutations and dysregulations of these proteins contribute to the development of the complex disease. Free radical...
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2020
Identifying residue-residue contacts in protein-protein interactions or complex is crucial for understanding protein and cell functions. DCA (direct-coupling analysis) methods shed some light on this, but they need many sequence homologs to yield acc...
MOTIVATION: Classification of protein sequences is one big task in bioinformatics and has many applications. Different machine learning methods exist and are applied on these problems, such as support vector machines (SVM), random forests (RF) and ne...
MOTIVATION: Almost all protein residue contact prediction methods rely on the availability of deep multiple sequence alignments (MSAs). However, many proteins from the poorly populated families do not have sufficient number of homologs in the convent...
Chemical similarity searching is a basic research tool that can be used to find small molecules which are similar in shape to known active molecules. Despite its popularity, the retrieval of local molecular features that are critical to functional ac...
With the avalanche of biological sequences generated in the post-genomic age, one of the most challenging problems is how to computationally analyze their structures and functions. Machine learning techniques are playing key roles in this field. Typi...
Automated function prediction (AFP) of proteins is of great significance in biology. AFP can be regarded as a problem of the large-scale multi-label classification where a protein can be associated with multiple gene ontology terms as its labels. Bas...
MOTIVATION: Protein-Protein Interactions (PPI) are essentials for most cellular processes and thus, unveiling how proteins interact is a crucial question that can be better understood by identifying which residues are responsible for the interaction....
The Evidence and Conclusion Ontology (ECO) contains terms (classes) that describe types of evidence and assertion methods. ECO terms are used in the process of biocuration to capture the evidence that supports biological assertions (e.g. gene product...
The UniProt Knowledgebase is a collection of sequences and annotations for over 120 million proteins across all branches of life. Detailed annotations extracted from the literature by expert curators have been collected for over half a million of the...
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.