Anita De Ruiter

Dr. Anita De Ruiter is an academic researcher affiliated with the Institute for Molecular Modeling and Simulation at the University of Natural Resources and Life Sciences, Vienna (BOKU). Her work focuses on computational methods in biomolecular research, including molecular modeling, free energy calculations, and simulation techniques applied to drug design and protein inhibition studies.

• Research Interests: Computational chemistry, molecular dynamics, thermodynamic integration, and simulation-based drug discovery.
• Lectures: She has delivered presentations at international symposia (e.g., 2024 Alchemical Free Energy Workshop, 2024 BIOMOS Symposium) on multisite adaptive extended dynamics and thermodynamic integration methods.

Advising: Supervised at least one Master’s thesis at BOKU. Contact: Based at Muthgasse 18, Vienna, with ORCID 0000-0003-3046-8969.