Ulf Ryde

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2009
Mark How Accurate Can a Force Field Become? A Polarizable Multipole Model Combined with Fragment-wise Quantum-Mechanical Calculations
Söderhjelm, Pär ^LU and Ryde, Ulf ^LU (2009) In Journal of physical chemistry. A 113(3). p.617-627
- Contribution to journal › Article
Mark Conformational dependence of charges in protein simulations
Söderhjelm, Pär ^LU and Ryde, Ulf ^LU (2009) In Journal of Computational Chemistry 30(5). p.750-760
- Contribution to journal › Article
Mark Influence of the [2Fe](H) Subcluster Environment on the Properties of Key Intermediates in the Catalytic Cycle of [FeFe] Hydrogenases: Hints for the Rational Design of Synthetic Catalysts
Bruschi, Maurizio ; Greco, Claudio ; Kaukonen, Markus ^LU ; Fantucci, Piercarlo ; Ryde, Ulf ^LU and De Gioia, Luca (2009) In Angewandte Chemie (International edition) 48(19). p.3503-3506
- Contribution to journal › Article
Mark Protein Influence on Electronic Spectra Modeled by Multipoles and Polarizabilities
Söderhjelm, Pär ^LU ; Husberg, Charlotte ; Strambi, Angela ; Olivucci, Massimo and Ryde, Ulf ^LU (2009) In Journal of Chemical Theory and Computation 5(3). p.649-658
- Contribution to journal › Article
Mark Rubus sect. Corylifolii in the province of Halland, SW Sweden
Ryde, Ulf ^LU (2009) In Svensk Botanisk Tidskrift 103. p.279-300
- Contribution to journal › Article
Mark Quantum mechanical/molecular mechanical (QM/MM) methods and applications in bioinorganic chemistry
Ryde, Ulf ^LU (2009) p.33-42
- Chapter in Book/Report/Conference proceeding › Book chapter
2008
Mark Proton transfer at metal sites in proteins studied by quantum mechanical free-energy perturbations
Kaukonen, Markus ^LU ; Söderhjelm, Pär ^LU ; Heimdal, Jimmy ^LU and Ryde, Ulf ^LU (2008) In Journal of Chemical Theory and Computation 4(6). p.985-1001
- Contribution to journal › Article
Mark Transition-state docking of flunitrazepam and progesterone in cytochrome P450
Rydberg, Patrik ^LU ; Hansen, Sine Myrup ; Kongsted, Jacob ^LU ; Norrby, Per-Ola ; Olsen, Lars and Ryde, Ulf ^LU (2008) In Journal of Chemical Theory and Computation 4(4). p.673-681
- Contribution to journal › Article
Mark Effect of covalent links on the structure, spectra, and redox properties of myeloperoxidase - A density functional study.
Devarajan, Ajitha ^LU ; Gaenko, Alexander ^LU and Ryde, Ulf ^LU (2008) In Journal of Inorganic Biochemistry 102. p.1549-1557
- Contribution to journal › Article
Mark Prediction of Activation Energies for Aromatic Oxidation by Cytochrome P450
Rydberg, Patrik ; Ryde, Ulf ^LU and Olsen, Lars (2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(50). p.13058-13065
- Contribution to journal › Article

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