Ulf Ryde, Ph.D.
Affiliations: | Chemistry | Lund University, Lund, Skåne län, Sweden |
Area:
Theoretical ChemistryWebsite:
http://www.teokem.lu.se/~ulf/Google:
"Ulf Ryde"Mean distance: 10.02
Children
Sign in to add trainee| Pär Söderhjelm | grad student | Lund University | |
| Lubomír Rulíšek | post-doc | 2002-2004 | Lund University |
| Marie-Céline van Severen | post-doc | 2009-2011 | Université Pierre et Marie Curie |
| Jilai Li | post-doc | 2011-2013 |
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Publications
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| Jiang H, Ryde U. (2024) Reaction Mechanism for CO Reduction by Mo-Nitrogenase Studied by QM/MM. Inorganic Chemistry |
| Verteramo ML, Ignjatović MM, Kumar R, et al. (2024) Interplay of halogen bonding and solvation in protein-ligand binding. Iscience. 27: 109636 |
| Vysotskiy VP, Filippi C, Ryde U. (2024) Scalar Relativistic All-Electron and Pseudopotential Study of a Minimal Nitrogenase [Fe(SH)H] Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods. The Journal of Physical Chemistry. A. 128: 1358-1374 |
| Zhai H, Lee S, Cui ZH, et al. (2023) Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron-Sulfur Clusters. The Journal of Physical Chemistry. A |
| Vysotskiy VP, Torbjörnsson M, Jiang H, et al. (2023) Assessment of DFT functionals for a minimal nitrogenase [Fe(SH)4H]- model employing state-of-the-art ab initio methods. The Journal of Chemical Physics. 159 |
| Shirazi J, Jafari S, Ryde U, et al. (2023) Catalytic Reaction Mechanism of Glyoxalase II: A Quantum Mechanics/Molecular Mechanics Study. The Journal of Physical Chemistry. B. 127: 4480-4495 |
| Jiang H, Svensson OKG, Ryde U. (2022) QM/MM Study of Partial Dissociation of S2B for the E Intermediate of Nitrogenase. Inorganic Chemistry. 61: 18067-18076 |
| Ekberg V, Samways ML, Misini Ignjatović M, et al. (2022) Comparison of Grand Canonical and Conventional Molecular Dynamics Simulation Methods for Protein-Bound Water Networks. Acs Physical Chemistry Au. 2: 247-259 |
| Jafari S, Tavares Santos YA, Bergmann J, et al. (2022) Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in Proteins. Inorganic Chemistry. 61: 5991-6007 |
| Ekberg V, Ryde U. (2021) On the Use of Interaction Entropy and Related Methods to Estimate Binding Entropies. Journal of Chemical Theory and Computation |