We developed two CNNs for predicting ubiquitination sites in Arabidopsis thaliana, demonstrated their competitive performance, analyzed amino acid physicochemical properties and the CNN structures, and predicted ubiquitination sites in Arabidopsis. A...
To investigate the structure-dependent peptide mobility behavior in ion mobility spectrometry (IMS), quantitative structure-spectrum relationship (QSSR) is systematically modeled and predicted for the collision cross section Ω values of totally 162 s...
Interdisciplinary sciences, computational life sciences
Jan 12, 2021
The new type of corona virus (SARS-COV-2) emerging in Wuhan, China has spread rapidly to the world and has become a pandemic. In addition to having a significant impact on daily life, it also shows its effect in different areas, including public heal...
Glycosylation is a dynamic enzymatic process that attaches glycan to proteins or other organic molecules such as lipoproteins. Research has shown that such a process in ion channel proteins plays a fundamental role in modulating ion channel functions...
A hydrophilic interaction (HILIC) ultra-high performance liquid chromatography (UHPLC) with triple quadrupole tandem mass spectrometry (MS/MS) method was developed and validated for the quantification of 21 free amino acids (AAs). Compared to publish...
Computational and mathematical methods in medicine
Nov 20, 2020
Amyloid is generally an aggregate of insoluble fibrin; its abnormal deposition is the pathogenic mechanism of various diseases, such as Alzheimer's disease and type II diabetes. Therefore, accurately identifying amyloid is necessary to understand its...
This study investigated protein degradation and quality changes during the processing of dry-cured ham, and then established the multiple quality prediction model based on protein degradation. From the raw material to the curing period, proteolysis i...
International journal of molecular sciences
Oct 1, 2020
Protein Hot-Spots (HS) are experimentally determined amino acids, key to small ligand binding and tend to be structural landmarks on protein-protein interactions. As such, they were extensively approached by structure-based Machine Learning (ML) pred...
Journal of chemical information and modeling
Sep 30, 2020
Antimicrobial peptides (AMPs) are at the focus of attention due to their therapeutic importance and developing computational tools for the identification of efficient antibiotics from the primary structure. Here, we utilized the CNMR spectral of amin...
Through advanced mechanistic modeling and the generation of large high-quality datasets, machine learning is becoming an integral part of understanding and engineering living systems. Here we show that mechanistic and machine learning models can be c...