Computational Chemistry
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- 2026
-
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
-
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
Can ferric-oxyl excited states explain elongated iron-oxygen bonds in heme peroxidase catalytic intermediates?
Williams, Lewis J. ; Kamps, Jos J.A.G. ; Brânzanic, Adrian M. V. ; Lehene, Maria ; Lundgren, Kristoffer J. M. LU ; Ryde, Ulf LU
; Chatterjee, Kuntal
; Doyle, Margaret D.
; Simon, Philipp S.
and Makita, Hiroki
, et al.
(2026)
In Nature Communications
17.
- Contribution to journal › Article
-
Mark
QM/MM study of the catalytic reaction of potato epoxide hydrolase
Dehabadi, Maryam Haji ; Ryde, Ulf LU
and Irani, Mehdi
LU
(2026)
In International Journal of Biological Macromolecules
356.
- Contribution to journal › Article
-
Mark
Quantum refinement with electron diffraction and X-ray free-electron laser data: comparative study of ribonucleotide reductase dimetal site
Lundgren, Kristoffer J. M. LU ; Sun, Xiaoli LU ; Pacoste, Laura ; Kumar, Rohit LU ; Hofer, Gerhard ; Xu, Hongyi ; Zou, Xiaodong ; Högbom, Martin ; Oksanen, Esko LU and Ryde, Ulf LU
(2026)
In Journal of Applied Crystallography
59(2).
p.277-290
- Contribution to journal › Article
-
Mark
Prospects for neutron protein crystallography at the European Spallation Source
- Contribution to journal › Debate/Note/Editorial
-
Mark
Linear-scaling aspherical crystallographic refinement of proteins : A case study for crambin and rubredoxin
Bergmann, Justin LU ; Kleemiss, Florian ; Creutzberg, Joel LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2026)
In IUCrJ
13.
p.53-62
- Contribution to journal › Article
-
Mark
Numerical studies of strong protein interactions
Vinterbladh, Isabel LU
(2026)
- Thesis › Licentiate thesis
-
Mark
Polyampholyte model of ion clusters : Double-layer interactions in the presence of dissociated simple salt
Ribar, David LU
; Woodward, Clifford E.
and Forsman, Jan
LU
(2026)
In Journal of Chemical Physics
164(11).
- Contribution to journal › Article