eLife

Deep Learning Reveals Endogenous Sterols as Allosteric Modulators of the GPCR-Gα Interface

The authors present a set of wrappers around previously developed software and machine-learning toolkits, and demonstrate their use in identifying endogenous sterols binding to a GPCR. The resulting ...
eLife

Deep Learning Reveals Endogenous Sterols as Allosteric Modulators of the GPCR-Gα Interface

The authors present a computational pipeline for the identification of endogenous allosteric modulators of GPCRs, with experimental validation performed in a yeast system. This approach is valuable ...
C&EN

MS and NMR Analysis of Isotopically Labeled Chloramination Disinfection Byproducts: Hyperlinks and Chemical Reactions

EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Rd, Edinburgh EH9 3FJ, U.K. Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both ...
GitHub

Code Graph Analysis Pipeline

This repository provides an automated code graph analysis pipeline built on jQAssistant and Neo4j. It supports Java and experimental TypeScript analysis, capturing both the structure and evolution of ...
C&EN

A Temporal Graph Model to Predict Chemical Transformations in Complex Dissolved Organic Matter

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Dissolved organic matter (DOM) is a complex mixture of thousands of natural molecules ...