Computational Chemistry
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- 2023
-
Mark
Anisotropic protein-protein interactions in dilute and concentrated solutions
Pasquier, Coralie LU ; Midtgaard, Søren Roi ; Polimeni, Marco LU ; Jørgensen, Christian Isak LU ; Arleth, Lise ; Callisen, Thomas H. and Lund, Mikael LU
(2023)
In Journal of Colloid and Interface Science
629.
p.794-804
- Contribution to journal › Article
-
Mark
Computational Studies of Metalloenzymes
(2023)
- Thesis › Doctoral thesis (compilation)
-
Mark
Histidine oxidation in lytic polysaccharide monooxygenase
Torbjörnsson, Magne LU ; Hagemann, Marlisa M. LU ; Ryde, Ulf LU
and Hedegård, Erik Donovan
LU
(2023)
In Journal of Biological Inorganic Chemistry
- Contribution to journal › Article
-
Mark
A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes
(2023) In Physical Chemistry Chemical Physics
- Contribution to journal › Article
-
Mark
Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in Nitrogenase
- Contribution to journal › Article
-
Mark
Simulations of phase transitions and capacitance, of simple ionic fluids in porous electrodes
- Contribution to journal › Article
-
Mark
A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase
Meelua, Wijitra ; Wanjai, Tanchanok ; Thinkumrob, Natechanok ; Oláh, Julianna ; Cairns, James R.Ketudat ; Hannongbua, Supa ; Ryde, Ulf LU
and Jitonnom, Jitrayut
(2023)
In Physical Chemistry Chemical Physics
25(12).
p.8767-8778
- Contribution to journal › Article
- 2022
-
Mark
Conformation- and phosphorylation-dependent electron tunnelling across self-assembled monolayers of tau peptides
Ashkarran, Ali Akbar ; Hosseini, Atiyeh LU ; Loloee, Reza ; Perry, George ; Lee, Ki Bum ; Lund, Mikael LU
; Ejtehadi, Mohammad Reza
and Mahmoudi, Morteza
(2022)
In Journal of Colloid and Interface Science
606.
p.2038-2050
- Contribution to journal › Article
-
Mark
Combining crystallography with quantum mechanics
Bergmann, Justin LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2022)
In Current Opinion in Structural Biology
72.
p.18-26
- Contribution to journal › Scientific review
-
Mark
Self-Interactions of Two Monoclonal Antibodies : Small-Angle X-ray Scattering, Light Scattering, and Coarse-Grained Modeling
Mahapatra, Sujata ; Polimeni, Marco LU ; Gentiluomo, Lorenzo ; Roessner, Dierk ; Frieß, Wolfgang ; Peters, Günther H. J. ; Streicher, Werner W. ; Lund, Mikael LU
and Harris, Pernille
(2022)
In Molecular Pharmaceutics
19(2).
p.508-519
- Contribution to journal › Article