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2024
Mark Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models
Hatch, Harold W. ; Bergonzo, Christina ; Blanco, Marco A. ; Yuan, Guangcui ; Grudinin, Sergei ; Lund, Mikael ^LU ; Curtis, Joseph E. ; Grishaev, Alexander V. ; Liu, Yun and Shen, Vincent K. (2024) In Journal of Chemical Physics 161(9).
- Contribution to journal › Article
Mark Reaction mechanism of pyridine radicals with molecular oxygen : A theoretical study
Savchenkova, A. S. ; Chechet, I. V. ; Matveev, S. G. ; Konnov, A. A. ^LU and Mebel, A. M. (2024) In Computational and Theoretical Chemistry 1241.
- Contribution to journal › Article
Mark CO Oxidation Mechanism of Silver-Substituted Mo/Cu CO-Dehydrogenase – Analogies and Differences to the Native Enzyme
Rovaletti, Anna ; Moro, Giorgio ; Cosentino, Ugo ; Ryde, Ulf ^LU and Greco, Claudio (2024) In ChemPhysChem 25(13).
- Contribution to journal › Article
Mark Rubus wahlbergii and related species in Sweden
Zhou, Mingyue ; Montes, Melanie S. ; Mattsson, Tore ; Burén, Tomas ; Hedrén, Mikael ^LU and Ryde, Ulf ^LU (2024) In Nordic Journal of Botany 2024(9).
- Contribution to journal › Article
Mark Interactions of intrinsically disordered peptides with phospholipid bilayers
Eriksson Skog, Amanda ^LU (2024)
- Thesis › Doctoral thesis (compilation)
Mark Theoretical insight into key reactions in DME/NH₃ co-firing : A detailed kinetic study and implications for rational combustion modelling
Xie, Jibiao ; Song, Jinou ; Konnov, Alexander A. ^LU ; Li, Zhijun and He, Yongdi (2024) In Proceedings of the Combustion Institute 40(1-4).
- Contribution to journal › Article
Mark Charge photogeneration dynamics in non-fullerene polymer solar cells with fluorinated and non-fluorinated acceptors
Cai, Zekai ; Hu, Rong ; Xiao, Zijie ; Feng, Junyi ; Zou, Xianshao ^LU ; Wen, Guanzhao ; Dong, Geng and Zhang, Wei (2024) In Journal of Chemical Physics 160(7).
- Contribution to journal › Article
Mark A multi-scale numerical approach to study monoclonal antibodies in solution
Polimeni, Marco ^LU ; Zaccarelli, Emanuela ; Gulotta, Alessandro ^LU ; Lund, Mikael ^LU ; Stradner, Anna ^LU and Schurtenberger, Peter ^LU (2024) In APL Bioengineering 8(1).
- 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
Mark Photoredox matching of earth-abundant photosensitizers with hydrogen evolving catalysts by first-principles predictions
Losada, Iria Bolaño ^LU and Persson, Petter ^LU (2024) In Journal of Chemical Physics 160(7).
- Contribution to journal › Article

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