Ulf Ryde
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- 2003
-
Mark
Molcas: a program package for computational chemistry.
Karlström, Gunnar LU ; Lindh, Roland LU ; Malmqvist, Per-Åke LU ; Roos, Björn LU ; Ryde, Ulf LU
; Veryazov, Valera
LU
; Widmark, Per-Olof
LU
; Cossi, M
; Schimmelpfennig, B
and Neogrady, P
, et al.
(2003)
Symposium on Software Development for Process and Materials Disign
In Computational Materials Science
28(2).
p.222-239
- Contribution to journal › Article
-
Mark
Quantum Chemistry Can Locally Improve Protein Crystal Structures
Ryde, Ulf LU
and Nilsson, Kristina
LU
(2003)
In Journal of the American Chemical Society
125(47).
p.14232-14233
- Contribution to journal › Article
- 2002
-
Mark
Quantum chemical geometry optimizations in proteins using crystallographic raw data.
Ryde, Ulf LU
; Olsen, Lars
and Nilsson, Kristina
LU
(2002)
In Journal of Computational Chemistry
23(11).
p.1058-1070
- Contribution to journal › Article
-
Mark
The axial N-base has minor influence on Co-C bond cleavage in cobalamins
Jensen, Kasper LU and Ryde, Ulf LU
(2002)
In Journal of molecular structure. Theochem
585(1).
p.239-255
- Contribution to journal › Article
-
Mark
Restrained point-charge models for disaccharides
Sigfridsson, E ; Ryde, Ulf LU
and Bush, BL
(2002)
In Journal of Computational Chemistry
23(3).
p.351-364
- Contribution to journal › Article
-
Mark
On the role of covalent strain in protein function
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Mark
Theoretical study of the discrimination between O(2) and CO by myoglobin.
- Contribution to journal › Article
- 2001
-
Mark
Structure, strain, and reorganization energy of blue copper models in the protein
Ryde, Ulf LU
and Olsson, Mats H. M.
(2001)
In International Journal of Quantum Chemistry
81(5).
p.335-347
- Contribution to journal › Article
-
Mark
Inner-sphere reorganization energy of iron-sulfur clusters studied with theoretical methods
Sigfridsson, Emma ; Olsson, Mats H. M. and Ryde, Ulf LU
(2001)
In Inorganic Chemistry
40(11).
p.2509-2519
- Contribution to journal › Article
-
Mark
Geometry, Reduction Potential, and Reorganization Energy of the Binuclear CuA Site, Studied by Density Functional Theory
Olsson, Mats H. M. and Ryde, Ulf LU
(2001)
In Journal of the American Chemical Society
123(32).
p.7866-7876
- Contribution to journal › Article