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- 2020
-
Mark
Quantum refinement with multiple conformations : Application to the P-cluster in nitrogenase
Cao, Lili LU and Ryde, Ulf LU
(2020)
In Acta Crystallographica Section D: Structural Biology
76.
p.1145-1156
- Contribution to journal › Article
-
Mark
Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase I
Jafari, Sonia ; Ryde, Ulf LU
; Fouda, Adam Emad Ahmed
; Alavi, Fatemeh Sadat
; Dong, Geng
LU
and Irani, Mehdi
LU
(2020)
In Inorganic Chemistry
59.
p.2594-2603
- Contribution to journal › Article
-
Mark
Water structure in solution and crystal molecular dynamics simulations compared to protein crystal structures
Caldararu, Octav LU ; Misini Ignjatovic, Majda LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2020)
In RSC Advances
10.
p.8435-8443
- Contribution to journal › Article
-
Mark
What Is the Structure of the E4 Intermediate in Nitrogenase?
- Contribution to journal › Article
-
Mark
Putative reaction mechanism of nitrogenase after dissociation of a sulfide ligand
- Contribution to journal › Article
-
Mark
Transition from steady shear to oscillatory shear rheology of dense suspensions
- Contribution to journal › Article
-
Mark
Deepening into the nucleation and fission processes of nano-hydrated ammonia clusters - A combined theoretical and experimental study
Barreiro, D. ; Oostenrijk, B. LU ; Walsh, N. LU ; Sankari, A. LU ; Månsson, E. P. LU ; Maclot, S. LU ; Sorensen, S. LU
; Díaz-Tendero, S.
and Gisselbrecht, M.
LU
(2020)
31st International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2019
In Journal of Physics: Conference Series
1412.
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
-
Mark
The DIRAC code for relativistic molecular calculations
- Contribution to journal › Article
-
Mark
Electrostatically Driven Structure Formation in Clay Dispersions
(2020)
- Thesis › Doctoral thesis (compilation)
-
Mark
A Stable Homoleptic Organometallic Iron(IV) Complex
- Contribution to journal › Article