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Structural Characterization

Structural Characterization
(all aspects of structural analysis and interpretation)
Molecular Modeling

–Homology Modeling

–Macromolecular Docking of complexes

–Molecular Graphics Visualization

Crystallographic Studies

–Protein Expression and purification

–Crystallization Trials

–Data Collection

–Structure solution

–Building and refining structural models of proteins or protein-ligand complexes

–Generating and visualizing electron density maps

–Full refinement and minimization of X-ray structures

–Automatic fitting of ligands into available density

–Validation of crystal structures utilizing various test criteria

–Structural Analysis and Comparisons

Molecular Simulations

–Setting up simulations

–Performing an MD Trajectory

–Analysis of resulting trajectory


Janet Paulsen