Deep Learning-Based Label-Free Surface-Enhanced Raman Scattering Screening and Recognition of Small-Molecule Binding Sites in Proteins.
Sign Up to like & getrecommendations! Published in 2022 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.2c01158
Abstract: Identification of small-molecule binding sites in proteins is of great significance in analysis of protein function and drug design. Modified sites can be recognized via proteolytic cleavage followed by liquid chromatography-mass spectrometry (LC-MS); however, this… read more here.
Keywords: sites proteins; small molecule; deep learning; binding sites ... See more keywords
Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Medicinal Chemistry"
DOI: 10.1021/acs.jmedchem.2c01681
Abstract: X-ray crystallographic fragment screening (XCFS) uses fragment-sized molecules (∼60 – 300 Da) to access binding sites on proteins that may be inaccessible to larger drug-like molecules (>300 Da). Previous studies from our lab and others… read more here.
Keywords: sites proteins; fragment; fragment screening; halo library ... See more keywords
Precision Mapping of O-Linked N-Acetylglucosamine Sites in Proteins using Ultraviolet Photodissociation Mass Spectrometry.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.0c04710
Abstract: Despite its central importance as a regulator of cellular physiology, the identification and precise mapping of O-linked N-acetylglucosamine (O-GlcNAc) post-translational modification (PTM) sites in proteins by mass spectrometry (MS) remains a considerable technical challenge. This… read more here.
Keywords: photodissociation; mapping; mass spectrometry; sites proteins ... See more keywords
NPalmitoylDeep-PseAAC: A Predictor of N-Palmitoylation Sites in Proteins Using Deep Representations of Proteins and PseAAC via Modified 5-Steps Rule
Sign Up to like & getrecommendations! Published in 2020 at "Current Bioinformatics"
DOI: 10.2174/1574893615999200605142828
Abstract: Among all the major Post-translational modification, lipid modifications possess special significance due to their widespread functional importance in eukaryotic cells. There exist multiple types of lipid modifications and Palmitoylation, among them, is one of the… read more here.
Keywords: palmitoylation; pseaac; prediction model; model ... See more keywords