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2024
Mark Enhanced diffusion through multivalency
Bartoš, Ladislav ; Lund, Mikael ^LU and Vacha, Robert (2024) In Soft Matter 21(2). p.179-185
- Contribution to journal › Article
Mark Time-resolved scattering methods for biological samples at the CoSAXS beamline, MAX IV Laboratory
Herranz-Trillo, Fátima ^LU ; Sørensen, Henrik Vinther ^LU ; Dicko, Cedric ^LU ; Pérez, Javier ; Lenton, Samuel ^LU ; Foderà, Vito ; Fornell, Anna ^LU ; Skepö, Marie ^LU ; Plivelic, Tomás S. ^LU and Berntsson, Oskar ^LU , et al. (2024) In Methods in Enzymology 709. p.245-296
- Chapter in Book/Report/Conference proceeding › Book chapter
Mark Side-group switching between metal-to-ligand charge-transfer and metal-centered excited state properties in iron(II) N-heterocyclic carbene complexes
Lindh, Linnea ^LU ; Rosemann, Nils W. ^LU ; Losada, Iria Bolaño ^LU ; Persson, Samuel ^LU ; Goriya, Yogesh ^LU ; Fan, Hao ^LU ; Gordivska, Olga ^LU ; Wärnmark, Kenneth ^LU ; Uhlig, Jens ^LU and Chábera, Pavel ^LU , et al. (2024) In Coordination Chemistry Reviews 506.
- Contribution to journal › Scientific review
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 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
2023
Mark MultiPsi : A python-driven MCSCF program for photochemistry and spectroscopy simulations on modern HPC environments
Delcey, Mickaël G. ^LU (2023) In Wiley Interdisciplinary Reviews: Computational Molecular Science 13(6).
- Contribution to journal › Article
Mark The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry
Li Manni, Giovanni ; Aquilante, Francesco ^LU ; Delcey, Mickael ^LU ; De Vico, Luca ^LU ; Guo, Meiyuan ^LU ; Nguyen, Vu ; Veryazov, Valera ^LU ; Zhou, Chen and Lindh, Roland ^LU (2023) In Journal of Chemical Theory and Computation 19(20). p.6933-6991
- Contribution to journal › Article
Mark Comparison of force fields to study the zinc-finger containing protein NPL4, a target for disulfiram in cancer therapy
Scrima, Simone ; Tiberti, Matteo ; Ryde, Ulf ^LU ; Lambrughi, Matteo and Papaleo, Elena (2023) In Biochimica et Biophysica Acta - Proteins and Proteomics 1871(4).
- Contribution to journal › Article
Mark Complete Active Space Methods for NISQ Devices : The Importance of Canonical Orbital Optimization for Accuracy and Noise Resilience
De Gracia Triviño, Juan Angel ; Delcey, Mickael G. ^LU and Wendin, Göran (2023) In Journal of Chemical Theory and Computation 19(10). p.2863-2872
- Contribution to journal › Article
Mark Computational Studies of Metalloenzymes
Torbjörnsson, Magne ^LU (2023)
- Thesis › Doctoral thesis (compilation)

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