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Publications (5)
- Comparative analysis of backbone atom cross-correlation matrices and folding dynamics of amyloid fibril and its complexes with novel biosurfactants isolated from Bacillus strain: a binding free energy calculation (mM-PBSA) and MD simulation approach Save
- Unveiling key hub genes in E. coli biofilm formation: An in silico approach integrating differential gene expression, biosurfactant targeting, MD simulation and MM-PBSA free energy calculations Save
- Isolation, structural characterization, and anticancer potential of a novel glycolipid biosurfactant S1B with AI-driven medium optimization Save
- In Silico Investigation and MD Simulation Approaches of Newly Designed Quercetin–Imidazole Analogs for Anticancer and Antifungal Efficacy Save
- Isolation, characterization, and multimodal evaluation of novel glycolipid biosurfactant derived from Bacillus species: A promising Staphylococcus aureus tyrosyl-tRNA synthetase inhibitor through molecular docking and MD simulations Save