Ulf Ryde
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- 2010
-
Mark
Estimates of ligand-binding affinities supported by quantum mechanical methods.
Söderhjelm, Pär LU ; Kongsted, Jacob LU ; Genheden, Samuel LU and Ryde, Ulf LU
(2010)
In Interdisciplinary sciences, computational life sciences
2(1).
p.21-37
- Contribution to journal › Article
-
Mark
Protein Flexibility and Conformational Entropy in Ligand Design Targeting the Carbohydrate Recognition Domain of Galectin-3.
Diehl, Carl LU ; Engström, Olof ; Delaine, Tamara LU ; Håkansson, Maria LU ; Genheden, Samuel LU ; Modig, Kristofer LU
; Leffler, Hakon
LU
; Ryde, Ulf
LU
; Nilsson, Ulf
LU
and Akke, Mikael
LU
(2010)
In Journal of the American Chemical Society
132.
p.14577-14589
- Contribution to journal › Article
-
Mark
Quantum refinement of [FeFe] hydrogenase indicates a dithiomethylamine ligand
Ryde, Ulf LU
; Greco, Claudio
LU
and De Gioia, Luca
(2010)
In Journal of the American Chemical Society
132(13).
p.4512-4512
- Contribution to journal › Article
-
Mark
A combined computational and experimental investigation of the [2Fe-2S] cluster in biotin synthase
Fuchs, Michael G. G. ; Meyer, Franc and Ryde, Ulf LU
(2010)
In Journal of Biological Inorganic Chemistry
15(2).
p.203-212
- Contribution to journal › Article
-
Mark
Starting-Condition Dependence of Order Parameters Derived from Molecular Dynamics Simulations
Genheden, Samuel LU ; Diehl, Carl LU ; Akke, Mikael LU
and Ryde, Ulf
LU
(2010)
In Journal of Chemical Theory and Computation
6(7).
p.2176-2190
- Contribution to journal › Article
-
Mark
A five-coordinate [2Fe-2S] cluster.
Fuchs, Michael G G ; Dechert, Sebastian ; Demeshko, Serhiy ; Ryde, Ulf LU
and Meyer, Franc
(2010)
In Inorganic Chemistry
49(13).
p.5853-5858
- Contribution to journal › Article
-
Mark
Nonpolar Solvation Free Energies of Protein-Ligand Complexes
Genheden, Samuel LU ; Kongsted, Jacob LU ; Söderhjelm, Pär LU and Ryde, Ulf LU
(2010)
In Journal of Chemical Theory and Computation
6(11).
p.3558-3568
- Contribution to journal › Article
-
Mark
Genetic analysis shows that Rubus vikensis is a distinct species with a disjunct distribution
- Contribution to journal › Article
-
Mark
Ligand affinities estimated by quantum chemical calculations
Söderhjelm, Pär LU ; Kongsted, Jacob LU and Ryde, Ulf LU
(2010)
In Journal of Chemical Theory and Computation
6(5).
p.1726-1737
- Contribution to journal › Article
-
Mark
Rubus sordirosanthus in Halland, southwest Sweden
- Contribution to journal › Article