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- 2018
-
Mark
The effect of the relative permittivity on the tactoid formation in nanoplatelet systems. A combined computer simulation, SAXS, and osmotic pressure study
Jansson, Maria LU ; Thuresson, Axel LU ; Plivelic, Tomás S. LU ; Forsman, Jan LU and Skepö, Marie LU
(2018)
In Journal of Colloid and Interface Science
513.
p.575-584
- Contribution to journal › Article
-
Mark
Quantum Refinement Does Not Support Dinuclear Copper Sites in Crystal Structures of Particulate Methane Monooxygenase
Cao, Lili LU ; Caldararu, Octav LU ; Rosenzweig, Amy C. and Ryde, Ulf LU
(2018)
In Angewandte Chemie - International Edition
57(1).
p.162-166
- Contribution to journal › Article
-
Mark
Arginine "magic" : Guanidinium Like-Charge Ion Pairing from Aqueous Salts to Cell Penetrating Peptides
Vazdar, Mario ; Heyda, Jan ; Mason, Philip E. ; Tesei, Giulio LU ; Allolio, Christoph ; Lund, Mikael LU
and Jungwirth, Pavel
(2018)
In Accounts of Chemical Research
51(6).
p.1455-1464
- Contribution to journal › Article
-
Mark
Small and Large, Charged Molecules in Solution and at Interfaces
(2018)
- Thesis › Doctoral thesis (compilation)
-
Mark
Osmotic pressure in polyelectrolyte solutions : cell-model and bulk simulations
- Contribution to journal › Article
-
Mark
Predicting Relative Binding Affinity Using Nonequilibrium QM/MM Simulations
Wang, Meiting ; Mei, Ye and Ryde, Ulf LU
(2018)
In Journal of Chemical Theory and Computation
14.
p.6613-6613
- Contribution to journal › Article
-
Mark
Influence of the protein and DFT method on the broken-symmetry and spin states in nitroge
- Contribution to journal › Article
-
Mark
Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations
Ryde, Ulf LU
; Olsson, Martin
LU
and Steinmann, Casper
(2018)
In Journal of Chemical Theory and Computation
14.
p.3228-3228
- Contribution to journal › Article
-
Mark
Influence of Quantum Interference on the Thermoelectric Properties of Molecular Junctions
- Contribution to journal › Article
-
Mark
On the difference between additive and subtractive QM/MM calculations
- Contribution to journal › Article