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2024
Mark Interplay of halogen bonding and solvation in protein-ligand binding
Verteramo, Maria Luisa ^LU ; Ignjatović, Majda Misini ; Kumar, Rohit ^LU ; Wernersson, Sven ^LU ; Ekberg, Vilhelm ^LU ; Wallerstein, Johan ^LU ; Carlström, Göran ^LU ; Chadimová, Veronika ; Leffler, Hakon ^LU and Zetterberg, Fredrik , et al. (2024) In iScience 27(4).
- Contribution to journal › Article
Mark A comprehensive exploration of structural and electronic properties of molybdenum clusters
Wei, Yao ; Veryazov, Valera ^LU and Kantorovich, Lev (2024) In APL Materials 12(3).
- Contribution to journal › Article
Mark How Rigidity and Conjugation of Bidentate Ligands Affect the Geometry and Photophysics of Iron N-Heterocyclic Complexes : A Comparative Study
Prakash, Om ^LU ; Chábera, Pavel ^LU ; Kaul, Nidhi ; Hlynsson, Valtýr F. ^LU ; Rosemann, Nils W. ^LU ; Losada, Iria Bolaño ^LU ; Hoang Hai, Yen Tran ^LU ; Huang, Ping ^LU ; Bendix, Jesper and Ericsson, Tore , et al. (2024) In Inorganic Chemistry 63(10). p.4461-4473
- Contribution to journal › Article
Mark Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53 : A Molecular Dynamics Investigation
Bakker, Michael J. ^LU ; Sørensen, Henrik V. ^LU and Skepö, Marie ^LU (2024) In Journal of Chemical Theory and Computation 20(3). p.1423-1433
- Contribution to journal › Article
Mark Variational Pair-Density Functional Theory : Dealing with Strong Correlation at the Protein Scale
Scott, Mikael ^LU ; Rodrigues, Gabriel L.S. ^LU ; Li, Xin and Delcey, Mickael G. ^LU (2024) In Journal of Chemical Theory and Computation 20(6).
- Contribution to journal › Article
2023
Mark Anisotropic protein-protein interactions in dilute and concentrated solutions
Pasquier, Coralie ^LU ; Midtgaard, Søren Roi ; Polimeni, Marco ^LU ; Jørgensen, Christian Isak ; 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 Catalytic Reaction Mechanism of Glyoxalase II : A Quantum Mechanics/Molecular Mechanics Study
Shirazi, Javad ; Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2023) In Journal of Physical Chemistry B 127(20). p.4480-4495
- Contribution to journal › Article
Mark Direct Determination of the Rate of Intersystem Crossing in a Near-IR Luminescent Cr(III) Triazolyl Complex
Jones, Robert W. ; Auty, Alexander J. ; Wu, Guanzhi ; Persson, Petter ^LU ; Appleby, Martin V. ; Chekulaev, Dimitri ; Rice, Craig R. ; Weinstein, Julia A. ; Elliott, Paul I.P. and Scattergood, Paul A. (2023) In Journal of the American Chemical Society 145(22). p.12081-12092
- Contribution to journal › Article
Mark Electrostatic interactions control the adsorption of extracellular vesicles onto supported lipid bilayers
Ridolfi, Andrea ^LU ; Cardellini, Jacopo ; Gashi, Fatlinda ^LU ; van Herwijnen, Martijn J.C. ; Trulsson, Martin ^LU ; Campos-Terán, José ^LU ; H. M. Wauben, Marca ; Berti, Debora ; Nylander, Tommy ^LU and Stenhammar, Joakim ^LU (2023) In Journal of Colloid and Interface Science 650. p.883-891
- Contribution to journal › Article
Mark Two local minima for structures of [4Fe–4S] clusters obtained with density functional theory methods
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2023) In Scientific Reports 13(1).
- Contribution to journal › Article

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