Computational Chemistry
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- 2026
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Mark
Numerical studies of strong protein interactions
Vinterbladh, Isabel LU
(2026)
- Thesis › Licentiate thesis
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Mark
Loop dynamics, allostery, and function in protein tyrosine phosphatases : insights from molecular simulations
Welsh, Colin L. and Kamerlin, Shina Caroline Lynn LU
(2026)
In Biochemical Society Transactions
54(1).
p.1-12
- Contribution to journal › Scientific review
-
Mark
Conformational Dynamics and Catalytic Backups in a Hyper-thermostable Engineered Archaeal Protein Tyrosine Phosphatase
- Contribution to journal › Article
-
Mark
Fractal Quantum Nambu Mechanics
- Contribution to journal › Article
- 2025
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Mark
Reproducibility of QM/MM Calculations for the SARS-CoV-2 Main Protease
Sun, Xiaoli LU and Ryde, Ulf LU
(2025)
In Journal of Chemical Theory and Computation
21(15).
p.7711-7723
- Contribution to journal › Article
-
Mark
On the existence of prewetting in supracritical fluid mixtures
- Contribution to journal › Article
-
Mark
Quantum refinement in real and reciprocal space
(2025)
- Thesis › Doctoral thesis (compilation)
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Mark
Unraveling the conformational landscape of amyloid precursor protein intracellular domain
- Contribution to journal › Article
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Mark
Strongly coupled inert scalar sector with radiative neutrino masses
- Contribution to journal › Article
-
Mark
Multidimensional Decomposition and Ensemble Modeling of Histatin 1 and Its Siblings : Detailing Structure and Biological Function Using an Integrative Approach
Svensson, Oskar LU ; Gerelli, Yuri and Skepö, Marie LU
(2025)
In Journal of Chemical Information and Modeling
65(13).
p.7089-7101
- Contribution to journal › Article