Computational Chemistry
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- 2026
-
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
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
Fractal Quantum Nambu Mechanics
- Contribution to journal › Article
-
Mark
Numerical studies of strong protein interactions
Vinterbladh, Isabel LU
(2026)
- Thesis › Licentiate thesis
-
Mark
Classical Density Functional Treatment of Polydisperse Polarizable Clusters
Woodward, Clifford E. ; Ribar, David LU
and Forsman, Jan
LU
(2026)
In The journal of physical chemistry. B
130(15).
p.4196-4206
- Contribution to journal › Article
-
Mark
Spectroscopy of core-excited molecules and exploration of the induced dynamics
Lindblom, Ville LU
(2026)
- Thesis › Doctoral thesis (compilation)
-
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
-
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