An investigation on the molecular structure, interaction with metal clusters, anti-Covid-19 ability of 2-deoxy-D-glucose: DFT calculations, MD and docking simulations

Chemistry

• 2-Deoxy-D-Glucose 100%
• Molecular Dynamics 45%
• Molecular Structure 42%
• Molecular Cluster 40%
• Simulation 38%
• Density Functional Theory 38%
• Metal 27%
• Electrostatic Potential 25%
• Frontier Orbital 13%
• Chemical Reactivity 13%
• Intermolecular Force 10%
• Transition Element 8%
• Molecule 8%