معرفی
Dr. Ariane Nunes Alves is a Junior Group Leader at Technische Universität Berlin's Institute of Chemistry, leading the Theoretical Structural Biology group. Her research bridges computational chemistry and biophysics, specializing in protein-ligand binding kinetics, enzyme catalysis in crowded cellular environments, and machine learning applications in drug design.
Research Focus: Her lab develops methods to predict binding/unbinding pathways using molecular dynamics (e.g., tauRAMD) and AI models. Key areas include:
- Kinetics of protein-ligand interactions
- Effects of macromolecular crowding on enzymes
- Structure-based drug design with QSKR models
- Machine learning for hydrogenase pathway identification
Awards & Fellowships:
- HITS Award for Women in Science (2020)
- Capes-Humboldt Research Fellowship (2019)
- CellNetworks Postdoctoral Program (2018)
- Fapesp Ph.D. Fellowship (2014)
Teaching: She instructs graduate courses on applied machine learning in chemistry and computational drug design at TU Berlin. Her lab investigates substrate dissociation in hydrogenases, cellular environmental impacts on catalysis, and ML-based kinetic predictions.
