Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins.

Hydrogen atom transfer (HAT) reactions are important in many biological systems. As these reactions are hard to observe experimentally, it is of high interest to shed light on them using simulations. Here, we present a machine learning model based on graph neural networks for the prediction of energy barriers of HAT reactions in proteins.

Cell-free biosynthesis combined with deep learning accelerates de novo-development of antimicrobial peptides.

Bioactive peptides are key molecules in health and medicine. Deep learning holds a big promise for the discovery and design of bioactive peptides. Yet, suitable experimental approaches are required to validate candidates in high throughput and at low cost.

A versatile active learning workflow for optimization of genetic and metabolic networks.

Optimization of biological networks is often limited by wet lab labor and cost, and the lack of convenient computational tools. Here, we describe METIS, a versatile active machine learning workflow with a simple online interface for the data-driven optimization of biological targets with minimal experiments. We demonstrate our workflow for various applications, including cell-free transcription and translation, genetic circuits, and a 27-variable synthetic CO-fixation cycle (CETCH cycle), improving these systems between one and two orders of magnitude.

Antiradical Potential of Food Products as a Comprehensive Measure of Their Quality.

Antiradical potential (ARP) is an important measure of food safety. In addition, it directly or indirectly affects the rate of occurrence of a number of human pathologies. Using a photocolorimetric analysis of DPPH (2,2-diphenyl-1-picrylhydrazyl) solutions, we estimated the antiradical potential of food raw materials, food concentrates, biologically active substances, and wild plants.

Potentials of polysaccharides, lipids and proteins in biodegradable food packaging applications.

Bio-based packaging materials are gaining importance due to their biodegradability, sustainability and environmental friendliness. To control the food quality and improve the food safety standards, proteins polysaccharide and lipid-based packaging films are enriched with bioactive and functional substances. However, poor permeability and mechanical characteristics are the challenging areas in their commercialization.