Ancy Annie

Background

About Ancy Annie

Professional skills Experimental research skills Crystallization and X-Ray crystallography Data collection from Bruker Apex eco XRD. Single crystal structure room temperature data-spherical atom refinement Low temperature crystal data-multipole model refinement Theoretical and experimental charge density calculations Soxlet extraction Protein estimation assay Phenolic estimation assay Flavonoid estimation assay Anti-oxidant estimation assay Theoretical research skills Quantum chemical calculations Gas phase structure optimization and charge density analysis Homology modeling Molecular docking analysis QM/MM calculations Molecular dynamics simulation and free energy calculations Network Pharmacology Gene expression data analysis RNAseq Analysis Applied Machine Learning Protein strcuture modelling-Alphafold3.0 Software known to use Gaussian03 – Structure optimization, HOMO-LUMO calculations and theoretical charge density analysis. AIMPAC- Topological analysis Apex4.0 – Structure solving Wingx – Crystal structure spherical atom refinement XD2006 – Experimental charge density analysis Autodock, Dock6 and Maestro – for molecular docking AMBER, Desmond and Gromacs – Molecular dynamics simulation and Free energy calculation. AMBER – QM/MM calculations Pymol and Discovery studio – for intermolecular interaction analysis VMD and cpptraj – Visualizing and analyzing software for MD simulation Cytoscape and ClueGO-Network pharmacology and enrichment analysis WEKA-Machine Learning