Edina Rosta
University College London(GB)
Publications by Year
Research Areas
Protein Structure and Dynamics, Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Supramolecular Chemistry and Complexes, DNA and Nucleic Acid Chemistry
Most-Cited Works
- → Advances in molecular quantum chemistry contained in the Q-Chem 4 program package(2014)3,103 cited
- → Advances in methods and algorithms in a modern quantum chemistry program package(2006)2,783 cited
- → Single-molecule strong coupling at room temperature in plasmonic nanocavities(2016)1,923 cited
- → On the Mechanism of Hydrolysis of Phosphate Monoesters Dianions in Solutions and Proteins(2006)207 cited
- → Catalytic Mechanism of RNA Backbone Cleavage by Ribonuclease H from Quantum Mechanics/Molecular Mechanics Simulations(2011)189 cited
- → On Possible Pitfalls in ab Initio Quantum Mechanics/Molecular Mechanics Minimization Approaches for Studies of Enzymatic Reactions(2005)181 cited
- → Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity(2018)181 cited
- → Towards Accurate Ab Initio QM/MM Calculations of Free-Energy Profiles of Enzymatic Reactions(2006)165 cited
- → Detecting mid-infrared light by molecular frequency upconversion in dual-wavelength nanoantennas(2021)146 cited
- → Free Energies from Dynamic Weighted Histogram Analysis Using Unbiased Markov State Model(2014)139 cited