Computational Chemistry
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- 2025
-
Mark
Supercooled phase transitions in conformal dark sectors explain NANOGrav data
- Contribution to journal › Article
-
Mark
Rheology and dynamics of dense particle suspensions in rotary shear flows
Agrawal, Naveen Kumar ; Ge, Zhouyang ; Trulsson, Martin LU
; Tammisola, Outi
and Brandt, Luca
(2025)
In Journal of Fluid Mechanics
1018.
- Contribution to journal › Article
-
Mark
Understanding Anomalous Cage-Escape Dynamics in Photoredox Processes Driven by a Fe(III) N-Heterocyclic Carbene Complex
Losada, Iria Bolaño LU ; Ryde, Ulf LU
and Persson, Petter
LU
(2025)
In Journal of the American Chemical Society
147(35).
p.31509-31520
- 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
-
Mark
Critical evaluation of three cryo-EM structures of particulate methane monooxygenase by quantum refinement
Yuvaraj, Gayathri LU ; Lundgren, Kristoffer J.M. LU ; Veenman, Elija LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2025)
In Acta crystallographica. Section D, Structural biology
81.
p.605-620
- Contribution to journal › Article
-
Mark
Protonation State of Active-Site Histidines, Reaction Mechanism and Stereoselectivity in β-Alanine Synthase : A Computational Study
Meelua, Wijitra ; Ryde, Ulf LU
and Jitonnom, Jitrayut
(2025)
In Journal of Physical Chemistry B
129(23).
p.5664-5673
- Contribution to journal › Article
-
Mark
Quantum refinement in real and reciprocal space
(2025)
- Thesis › Doctoral thesis (compilation)
-
Mark
Unraveling the conformational landscape of amyloid precursor protein intracellular domain
- Contribution to journal › Article
-
Mark
On the existence of prewetting in supracritical fluid mixtures
- Contribution to journal › Article
-
Mark
White paper and roadmap for quantum gravity phenomenology in the multi-messenger era
- Contribution to journal › Article