Article

High-throughput selection of glucose-binding proteins from massive datasets: Integrating molecular docking and molecular dynamics simulations

2024-03-23

Abstract excerpt

<h4>ABSTRACT</h4> Selecting suitable glucose-binding proteins (GBPs) is vital for biosensor development for medical diagnostics and quality control in the food industry. Biosensors offer advantages such as high specificity, selectivity, fast response time, continuous measurement, and cost-effectiveness. The current work utilized a combination of molecular docking, molecular dynamics (MD) simulations, and free ene...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: 8d63a4b4-4163-5426-ad84-61ae9ab4ad53
DOI: 10.1101/2024.03.20.585966

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

High-throughput selection of glucose-binding proteins from massive datasets: Integrating molecular docking and molecular dynamics simulationsDOI 10.1101/2024.03.20.585966Read

Unravelling the mechanism of glucose binding in a protein-based fluorescence probe: molecular dynamics simulation with a tailor-made charge model.Semantic proximity Read

Engineering and rapid selection of a low-affinity glucose/galactose-binding protein for a glucose biosensor.Semantic proximity Read

Binding site prediction between lysozyme and glucose-regulated protein 78, a hope to fight amyloidosis.Semantic proximity Read

New insight in protein-ligand interactions. 2. Stability and properties of two mutant forms of the D-galactose/D-glucose-binding protein from E. coli.Semantic proximity Read

A new concept to reveal protein dynamics based on energy dissipation.Semantic proximity Read

Effect of the R126C mutation on the structure and function of the glucose transporter GLUT1: A molecular dynamics simulation study.Semantic proximity Read

A theoretical study on binding and stabilization of galactose and novel galactose analogues to the human α-galactosidase A variant causing Fabry disease.Semantic proximity Read

Effect of Mutations on Smlt1473 Binding to Various Substrates Using Molecular Dynamics Simulations.Semantic proximity Read

A strategic fluorescence labeling of D-galactose/D-glucose-binding protein from Escherichia coli helps to shed light on the protein structural stability and dynamics.Semantic proximity Read

Improving Prediction Accuracy of Binding Free Energies and Poses of HIV Integrase Complexes Using the Binding Energy Distribution Analysis Method with Flattening Potentials.Semantic proximity Read

Predicting the impact of mutations on the specific activity of Bacillus thermocatenulatus lipase using a combined approach of docking and molecular dynamics.Semantic proximity Read

Ultra-dynamic assemblies of glycolytic enzymes by quinary determinantsSemantic proximity Read