DockEM: An Enhanced Method for Atomic-Scale Protein–Ligand Docking Refinement Leveraging Low-to-Medium Resolution Cryo-EM Density Maps

Chemistry, Medicinal Chemistry, Computational Chemistry, Life Sciences, Biochemistry, Biophysics,
protein-ligand docking   cryo-EM   molecular docking   drug screening   structural biology  

Academic Background and Research Motivation In recent years, protein–ligand docking has rapidly developed as a core technology for virtual drug screening and structure-based drug discovery. Despite improvements in drug discovery efficiency through large-scale high-throughput screening technologies, new drug development still faces high costs, long ...

Eucalyptus Globulus Essential Oil-Based Nanoemulsions: Comprehensive Development, In Vitro and In Silico Assessment Against Spodoptera Litura

Chemistry, Nanoscience, Environmental Chemistry, Engineering, Environmental Engineering, Life Sciences, Bioengineering,
Eucalyptus globulus   nanoemulsions   Spodoptera litura   ovicidal activity   repellency   molecular docking  

Academic Background With the rapid growth of the global population, which is expected to reach 9.7 billion by 2050, food security has become an increasingly pressing issue. Agricultural productivity is affected by various factors, with pest damage to crops being particularly severe. The tobacco cutworm (Spodoptera litura), a polyphagous pest widely...