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- 2016
-
Mark
Chemical consequences of pyrazole orientation in RuII complexes of unsymmetric quinoline-pyrazole ligands
- Contribution to journal › Article
-
Mark
Molecular and Interfacial Calculations of Iron(II) Light Harvesters
- Contribution to journal › Article
-
Mark
QM/MM Calculations on Proteins
- Contribution to journal › Article
-
Mark
Computational characterization of competing energy and electron transfer states in bimetallic donor-acceptor systems for photocatalytic conversion
- Contribution to journal › Article
-
Mark
UPS and DFT investigation of the electronic structure of gas-phase trimesic acid
- Contribution to journal › Article
-
Mark
Catalytic mechanism of human glyoxalase i studied by quantum-mechanical cluster calculations
Jafari, Sonia ; Ryde, Ulf LU
and Irani, Mehdi
LU
(2016)
In Journal of Molecular Catalysis B: Enzymatic
131.
p.18-30
- Contribution to journal › Article
-
Mark
Modeling and simulation of intrinsically disordered proteins
(2016)
- Thesis › Doctoral thesis (compilation)
-
Mark
Extended Law of Corresponding States Applied to Solvent Isotope Effect on a Globular Protein
- Contribution to journal › Article
-
Mark
Molecular Dynamics Simulations of Intrinsically Disordered Proteins: On the Accuracy of the TIP4P‐D Water Model and the Representativeness of Protein Disorder Models
Henriques, Joao LU and Skepö, Marie LU
(2016)
In Journal of Chemical Theory and Computation
12(7).
p.3407-3415
- Contribution to journal › Article
-
Mark
Revised atomistic models of the crystal structure of C-S-H with high C/S ratio
Kovačević, Goran ; Nicoleau, Luc ; Nonat, André and Veryazov, Valera LU
(2016)
In Zeitschrift fur Physikalische Chemie
230(9).
p.1411-1424
- Contribution to journal › Article