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2025
Mark Redefining the Limits of Functional Continuity in the Early Evolution of P-Loop NTPases
Demkiv, Andrey O. ; Toledo-Patiño, Saacnicteh ; Medina-Carmona, Encarnación ; Berg, Andrej ; Pinto, Gaspar P. ; Parracino, Antonietta ; Sanchez-Ruiz, Jose M. ; Hengge, Alvan C. ; Laurino, Paola and Longo, Liam M. , et al. (2025) In Molecular biology and evolution 42(4).
- Contribution to journal › Article
Mark Universal Framework for Multiconfigurational DFT
Delcey, Mickael G. ^LU (2025) In Journal of Chemical Theory and Computation 21(6). p.2952-2960
- Contribution to journal › Article
Mark Metal preference of glyoxalase II, a quantum mechanics/molecular mechanics study
Shirazi, Javad ; Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2025) In Dalton Transactions 54(14). p.5779-5795
- Contribution to journal › Article
2024
Mark H₂ formation from the E₂–E₄ states of nitrogenase
Jiang, Hao ^LU and Ryde, Ulf ^LU (2024) In Physical Chemistry Chemical Physics 26(2). p.1364-1375
- Contribution to journal › Article
Mark Exploring the Functional Landscape of the p53 Regulatory Domain : The Stabilizing Role of Post-Translational Modifications
Bakker, Michael J. ^LU ; Svensson, Oskar ^LU ; So̷rensen, Henrik V. ^LU and Skepö, Marie ^LU (2024) In Journal of Chemical Theory and Computation 20(14). p.5842-5853
- Contribution to journal › Article
Mark Strong-coupling effective-field theory for asymmetrically charged plates with counterions only
Šamaj, Ladislav ; Trizac, Emmanuel and Trulsson, Martin ^LU (2024) In Physical Review E 110(1).
- Contribution to journal › Article
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 Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH)₄H]⁻ Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Vysotskiy, Victor P. ^LU ; Filippi, Claudia and Ryde, Ulf ^LU (2024) In Journal of Physical Chemistry A 128(7). p.1358-1374
- Contribution to journal › Article
Mark QM/MM study of the catalytic reaction of aphid myrosinase
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2024) In International Journal of Biological Macromolecules 262.
- Contribution to journal › Article

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