| Structural basis of second-generation HIV integrase inhibitor action and viral resistance NJ Cook, W Li, D Berta, M Badaoui, A Ballandras-Colas, A Nans, ... Science 367 (6479), 806-810, 2020 | 52 | 2020 |
| Development of a true transition state force field from quantum mechanical calculations A Madarász, D Berta, RS Paton Journal of Chemical Theory and Computation 12 (4), 1833-1844, 2016 | 24 | 2016 |
| A Catalyst Designed for the Enantioselective Construction of Methyl‐and Alkyl‐Substituted Tertiary Stereocenters A Claraz, G Sahoo, D Berta, Á Madarász, I Pápai, PM Pihko Angewandte Chemie International Edition 55 (2), 669-673, 2016 | 22 | 2016 |
| Cations in motion: QM/MM studies of the dynamic and electrostatic roles of H+ and Mg2+ ions in enzyme reactions D Berta, PJ Buigues, M Badaoui, E Rosta Current Opinion in Structural Biology 61, 198-206, 2020 | 21 | 2020 |
| Mechanistic study of an immobilized molecular electrocatalyst by in situ gap-plasmon-assisted spectro-electrochemistry D Wright, Q Lin, D Berta, T Földes, A Wagner, J Griffiths, C Readman, ... Nature Catalysis 4 (2), 157-163, 2021 | 20 | 2021 |
| Optical probes of molecules as nano-mechanical switches D Kos, G Di Martino, A Boehmke, B de Nijs, D Berta, T Földes, ... Nature Communications 11, 5905, 2020 | 14 | 2020 |
| Metal‐free C‐H borylation of N‐heteroarenes by boron trifluoride V Iashin, D Berta, K Chernichenko, M Nieger, K Moslova, I Pápai, TJ Repo Chemistry–A European Journal 26, 13873 –13879, 2020 | 13 | 2020 |
| Origin of Stereoselectivity in FLP-Catalyzed Asymmetric Hydrogenation of Imines A Hamza, K Sorochkina, B Kótai, K Chernichenko, D Berta, M Bolte, ... ACS Catalysis 10 (23), 14290-14301, 2020 | 10 | 2020 |
| Resolving sub-angstrom ambient motion through reconstruction from vibrational spectra J Griffiths, T Földes, B de Nijs, R Chikkaraddy, D Wright, WM Deacon, ... Nature Communications 12 (1), 1-8, 2021 | 8 | 2021 |
| Nuclear Quantum Effects from the Analysis of Smoothed Trajectories: Pilot Study for Water D Berta, D Ferenc, I Bakó, A Madarász Journal of Chemical Theory and Computation 16 (5), 3316-3334, 2020 | 8 | 2020 |
| The Role of Conserved Residues in the DEDDh Motif: the Proton-Transfer Mechanism of HIV-1 RNase H SL Dürr, O Bohuszewicz, D Berta, R Suardiaz, PG Jambrina, C Peter, ... ACS Catalysis 11 (13), 7915-7927, 2021 | 7 | 2021 |
| Toward Understanding CB[7]-Based Supramolecular Diels-Alder Catalysis D Berta, I Szabó, OA Scherman, E Rosta Frontiers in Chemistry 8, 985, 2020 | 5 | 2020 |
| Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics M Badaoui, PJ Buigues, D Berta, GM Mandana, H Gu, T Földes, ... Journal of Chemical Theory and Computation 18 (4), 2543-2555, 2022 | 4 | 2022 |
| Modelling the active SARS-CoV-2 helicase complex as a basis for structure-based inhibitor design D Berta, M Badaoui, SA Martino, PJ Buigues, AV Pisliakov, ... Chemical science 12 (40), 13492-13505, 2021 | 4 | 2021 |
| Organocatalytic Access to a cis-Cyclopentyl-γ-amino Acid: An Intriguing Model of Selectivity and Formation of a Stable 10/12-Helix from the Corresponding γ/α-Peptide R Fanelli, D Berta, T Foldes, E Rosta, RA Atkinson, HJ Hofmann, ... Journal of the American Chemical Society 142 (3), 1382-1393, 2019 | 4 | 2019 |
| Dynamic regulation of RAS and RAS signaling W Kolch, D Berta, E Rosta Biochemical Journal 480 (1), 1-23, 2023 | 1 | 2023 |
| Key Oncogenic Ras Mutations Impair Limiting Proton Transfer Rates D Berta, S Gehrke, E Rosta | | 2022 |
Edina RostaUniversity College LondonVerified email at ucl.ac.uk
