Computational Chemistry
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- 2025
-
Mark
The CuB site in particulate methane monooxygenase may be used to produce hydrogen peroxide
Lundgren, Kristoffer J.M. LU ; Cao, Lili LU ; Torbjörnsson, Magne LU ; Hedegård, Erik D. LU and Ryde, Ulf LU
(2025)
In Dalton Transactions
54(8).
p.3141-3156
- Contribution to journal › Article
-
Mark
Exceptionally Strong Double-Layer Barriers Generated by Polyampholyte Salt
Ribar, David LU
; Woodward, Clifford E.
and Forsman, Jan
LU
(2025)
In Journal of Physical Chemistry B
129(17).
p.4241-4248
- 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
-
Mark
Redefining the Limits of Functional Continuity in the Early Evolution of P-Loop NTPases
- Contribution to journal › Article
-
Mark
Universal Framework for Multiconfigurational DFT
- Contribution to journal › Article
-
Mark
Invisible Higgs decay from dark matter freeze-in at stronger coupling
- Contribution to journal › Article
-
Mark
Exploring the high sensitivity of DFT thermochemistry for protonation states of a ferredoxin model complex [ C H 3 S 4 Fe 2 III S 2 H ] −
- Contribution to journal › Article
-
Mark
Receptor Binding for the Entry Mechanisms of SARS-CoV-2 : Insights from the Original Strain and Emerging Variants
- Contribution to journal › Scientific review
- 2024
-
Mark
A comprehensive exploration of structural and electronic properties of molybdenum clusters
- 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