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Profile
| Academic position | Full Professor |
|---|---|
| Research fields | Theoretical Chemistry: Electron Structure, Dynamics, Simulation,Biophysical Chemistry |
| Keywords | enzyme reaction mechanism, free energy calculations, QQ/MM |
Current contact address
| Country | United Kingdom |
|---|---|
| City | London |
| Institution | University College London (UCL) |
| Institute | Department of Physics and Astronomy |
Host during sponsorship
| Prof. Dr. Paolo Carloni | Institute for Advanced Simulation (IAS), Forschungszentrum Jülich GmbH, Jülich |
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Programme(s)
| 2026 | Friedrich Wilhelm Bessel Research Award Programme |
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Nominator's project description
| Professor Rosta is well known internationally for her outstanding research in molecular modelling of enzyme catalysis and biomolecular dynamics. She has made important contributions to understand reaction mechanisms and free-energy landscapes in enzymatic processes, combining theory, computation and data-driven approaches. During her stay in Germany, she will extend this work to neuronal G-protein coupled receptor signaling mechanisms, linking receptor dynamics with neuro-active drug discovery applications. |