Carla Orlando

Performed molecular dynamics simulations, molecular docking, and quantum-chemical calculations to investigate biomolecular systems involved in catalytic processes. Applied multiscale computational approaches (GROMACS, AMBER, DFT) on HPC using SLURM and developed Python scripts to automate simulation preparation and post-processing.

Investigated catalytic reaction mechanisms using hybrid QM/MM methodologies and performed quantum chemical calculations and reaction pathway exploration. Collaborated with an international computational enzymology research team using Linux HPC systems.

Supported MSc students during general chemistry laboratory sessions as an academic tutor.

Assisted laboratory teaching activities in general chemistry for undergraduate biology students.

Performed molecular dynamics simulations and quantum chemical calculations to investigate biomolecular interactions and conformational behavior. Characterized enzyme systems through molecular modeling and computational data analysis.

Conducted experimental research on drug delivery systems, including vesicular formulations and magnetic nanoparticles. Supported formulation development, physicochemical characterization, and pharmaceutical laboratory activities.

Participated in pharmacy trainee activities, including pharmaceutical product management. Conducted formulation development, physicochemical characterization, and pharmaceutical laboratory activities.

Grade: Cum laude

PhD in Chemical Sciences (cum laude) investigating biomolecular systems using molecular dynamics, molecular docking, and quantum-chemical calculations. Applied multiscale approaches with GROMACS, AMBER, and DFT on Linux HPC systems using SLURM.

Grade: Cum laude

Master’s degree in Pharmaceutical Chemistry and Technology (cum laude).