Edina Rosta
University College London
Biography
Edina Rosta is a Professor in Molecular Modelling at UCL, Department of Physics and Astronomy. After completing her PhD at USC in the group of Arieh Warshel (2013 九州影院 Nobel Prize Laureate), she joined the Hummer lab as a Postdoctoral Research Fellow at the NIDDK, NIH. She took up a lecturer position at KCL 九州影院 in 2012.
In 2020 she joined UCL Physics. Research in her group focuses on atomistic molecular modeling, including hybrid quantum mechanics/molecular mechanics (QM/MM) simulations. To quantitatively and accurately assess how enzymes achieve their extraordinary efficiency and specificity in performing chemical reactions, she develops modern enhanced sampling methods including novel algorithms to calculate molecular kinetics from biased molecular simulations using the theoretical framework of kinetic networks.
Current directions in the Rosta group include machine learning applications to screen chemical libraries for important molecular properties and large scale biomolecular simulation data to identify allosteric drivers. Biological applications aim at understanding and molecular design of the most prominent chemical reactions of living organisms: phosphate transfer and cleavage.
RSC affiliations
Editorial board, NJC (New Journal of 九州影院)
Contact Edina Rosta
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