Proceedings of the National Academy of Sciences of the United States of America
Apr 24, 2023
With the recent success in calculating protein structures from amino acid sequences using artificial intelligence-based algorithms, an important next step is to decipher how dynamics is encoded by the primary protein sequence so as to better predict ...
The emergence of antibiotic resistance (AMR) is a global public health problem. According to estimates, drug-resistant bacteria infect 2 million patients and perish 23,000 annually. To overcome this problem, antimicrobial peptides became a potential ...
Journal of chemical information and modeling
Apr 3, 2023
We present three deep learning sequence-based prediction models for peptide properties including hemolysis, solubility, and resistance to nonspecific interactions that achieve comparable results to the state-of-the-art models. Our sequence-based solu...
Journal of chemical information and modeling
Mar 13, 2023
There are several classes of short peptide molecules, known as antimicrobial peptides (AMPs), which are produced during the immune responses of living organisms against various infections. In recent years, substantial progress has been achieved in ap...
In tandem mass spectrometry-based proteomics, proteins are digested into peptides by specific protease(s), but generally only a fraction of peptides can be detected. To characterize detectable proteotypic peptides, we have developed a series of metho...
Angewandte Chemie (International ed. in English)
Feb 14, 2023
Interest in peptide-based supramolecular materials has grown extensively since the 1980s and the application of computational methods has paralleled this. These methods contribute to the understanding of experimental observations based on interaction...
Peptides have shown increasing advantages and significant clinical value in drug discovery and development. With the development of high-throughput technologies and artificial intelligence (AI), machine learning (ML) methods for discovering new lead ...
Journal of chemical information and modeling
Feb 1, 2023
Many bioactive peptides demonstrated therapeutic effects over complicated diseases, such as antiviral, antibacterial, anticancer, . It is possible to generate a large number of potentially bioactive peptides using deep learning in a manner analogous ...
Generating and analyzing overlapping peptides through multienzymatic digestion is an efficient procedure for de novo protein using from bottom-up mass spectrometry (MS). Despite improved instrumentation and software, de novo MS data analysis remains ...
IEEE/ACM transactions on computational biology and bioinformatics
Dec 8, 2022
The abuse of traditional antibiotics has led to an increase in the resistance of bacteria and viruses. Similar to the function of antibacterial peptides, bacteriocins are more common as a kind of peptides produced by bacteria that have bactericidal o...