Lysine glutarylation is new type of protein acylation modification in both prokaryotes and eukaryotes. To better understand the molecular mechanism of glutarylation, it is important to identify glutarylated substrates and their corresponding glutaryl...
Aqueous solubility and partition coefficient are important physical properties of small molecules. Accurate theoretical prediction of aqueous solubility and partition coefficient plays an important role in drug design and discovery. The prediction ac...
Percolator is an important tool for greatly improving the results of a database search and subsequent downstream analysis. Using support vector machines (SVMs), Percolator recalibrates peptide-spectrum matches based on the learned decision boundary b...
IEEE/ACM transactions on computational biology and bioinformatics
Apr 4, 2018
The emergence of deep learning has impacted numerous machine learning based applications and research. The reason for its success lies in two main advantages: 1) it provides the ability to learn very complex non-linear relationships between features ...
Angewandte Chemie (International ed. in English)
Mar 30, 2018
"Chemical synthesis has previously tended to rely heavily on robust labour-intensive processes. We have been advocating a machine-assisted approach to synthesis for many years. To replace a bench chemist with a machine is not only unrealistic but imp...
International journal of molecular sciences
Mar 30, 2018
Metabolic stability is an important parameter to be optimized during the complex process of designing new active compounds. Tuning this parameter with the simultaneous maintenance of a desired compound's activity is not an easy task due to the extrem...
International journal of molecular sciences
Mar 29, 2018
Protein-protein interactions (PPI) are key to protein functions and regulations within the cell cycle, DNA replication, and cellular signaling. Therefore, detecting whether a pair of proteins interact is of great importance for the study of molecular...
Interdisciplinary sciences, computational life sciences
Mar 28, 2018
Flower Pollination Algorithm (FPA) has increasingly attracted researchers' attention in the computational intelligence field. This is due to its simplicity and efficiency in searching for global optimality of many optimization problems. However, ther...
IEEE/ACM transactions on computational biology and bioinformatics
Mar 26, 2018
Although Deep learning algorithms have outperformed conventional methods in predicting the sequence specificities of DNA-protein binding, they lack to consider the dependencies among nucleotides and the diverse binding lengths for different transcrip...
Designing protein sequences that can fold into a given structure is a well-known inverse protein-folding problem. One important characteristic to attain for a protein design program is the ability to recover wild-type sequences given their native bac...
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