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 | 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, 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 |
| Ekberg V, Ryde U. (2021) On the Use of Interaction Entropy and Related Methods to Estimate Binding Entropies. Journal of Chemical Theory and Computation |
| Bergmann J, Oksanen E, Ryde U. (2021) Quantum-refinement studies of the bidentate ligand of V‑nitrogenase and the protonation state of CO-inhibited Mo‑nitrogenase. Journal of Inorganic Biochemistry. 219: 111426 |
| Jafari S, Ryde U, Irani M. (2021) QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues. Journal of Chemical Theory and Computation |
| Cao L, Caldararu O, Ryde U. (2020) Does the crystal structure of vanadium nitrogenase contain a reaction intermediate? Evidence from quantum refinement. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry |
| Cao L, Ryde U. (2020) NH binding to the nitrogenase FeMo cluster studied by QM/MM methods. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry |
| Bergmann J, Davidson M, Oksanen E, et al. (2020) fragHAR: towards quantum-crystallographic X-ray structure refinement for polypeptides and proteins. Iucrj. 7: 158-165 |