International journal of molecular sciences
Dec 17, 2021
Protein solubility is an important thermodynamic parameter that is critical for the characterization of a protein's function, and a key determinant for the production yield of a protein in both the research setting and within industrial (e.g., pharma...
Machine-learning models that learn from data to predict how protein sequence encodes function are emerging as a useful protein engineering tool. However, when using these models to suggest new protein designs, one must deal with the vast combinatoria...
Accurate quantification of protein-ligand interactions remains a key challenge to structure-based drug design. However, traditional machine learning (ML)-based methods based on handcrafted descriptors, one-dimensional protein sequences, and/or two-di...
Journal of agricultural and food chemistry
Dec 8, 2021
Positive outcomes in biochemical and biological assays of food compounds may appear due to the well-described capacity of some compounds to form colloidal aggregates that adsorb proteins, resulting in their denaturation and loss of function. This phe...
IEEE/ACM transactions on computational biology and bioinformatics
Dec 8, 2021
The identification of a protein fold type from its amino acid sequence provides important insights about the protein 3D structure. In this paper, we propose a deep learning architecture that can process protein residue-level features to address the p...
IEEE/ACM transactions on computational biology and bioinformatics
Dec 8, 2021
Protein fold recognition is critical for studies of the protein structure prediction and drug design. Several methods have been proposed to obtain discriminative features from the protein sequences for fold recognition. However, the ensemble methods ...
IEEE/ACM transactions on computational biology and bioinformatics
Dec 8, 2021
Identifying interactions between drugs and target proteins is a critical step in the drug development process, as it helps identify new targets for drugs and accelerate drug development. The number of known drug-protein interactions (positive samples...
IEEE/ACM transactions on computational biology and bioinformatics
Dec 8, 2021
The global alignment of biological networks (GABN) aims to find an optimal alignment between proteins across species, such that both the biological structures and the topological structures of the proteins are maximally conserved. The research on GAB...
IEEE/ACM transactions on computational biology and bioinformatics
Dec 8, 2021
The recent advances in wet-lab automation enable high-throughput experiments to be conducted seamlessly. In particular, the exhaustive enumeration of all possible conditions is always involved in high-throughput screening. Nonetheless, such a screeni...