Computational Chemistry
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- 2022
-
Mark
Bone mineral : A trojan horse for bone cancers. Efficient mitochondria targeted delivery and tumor eradication with nano hydroxyapatite containing doxorubicin
Liu, Yang LU ; Nadeem, Aftab LU ; Sebastian, Sujeesh LU
; Olsson, Martin A.
LU
; Wai, Sun N.
; Styring, Emelie
LU
; Engellau, Jacob
LU
; Isaksson, Hanna
LU
; Tägil, Magnus
LU
and Lidgren, Lars
LU
, et al.
(2022)
In Materials Today Bio
14.
- Contribution to journal › Article
-
Mark
Photophysical Integrity of the Iron(III) Scorpionate Framework in Iron(III)-NHC Complexes with Long-Lived 2LMCT Excited States
Prakash, Om LU ; Lindh, Linnea LU
; Kaul, Nidhi
; Rosemann, Nils W.
LU
; Losada, Iria Bolaño
LU
; Johnson, Catherine
; Chábera, Pavel
LU
; Ilic, Aleksandra
LU
; Schwarz, Jesper
LU
and Gupta, Arvind Kumar
LU
, et al.
(2022)
In Inorganic Chemistry
61(44).
p.17515-17526
- Contribution to journal › Article
-
Mark
A modified Jarzynski free-energy estimator to eliminate non-conservative forces and its application in nanoparticle-membrane interactions
Hosseini, Atiyeh Najla ; Lund, Mikael LU
and Ejtehadi, Mohammad Reza
(2022)
In Physical Chemistry Chemical Physics
24(6).
p.3647-3654
- Contribution to journal › Article
-
Mark
Self-Interactions of Two Monoclonal Antibodies : Small-Angle X-ray Scattering, Light Scattering, and Coarse-Grained Modeling
Mahapatra, Sujata ; Polimeni, Marco LU ; Gentiluomo, Lorenzo ; Roessner, Dierk ; Frieß, Wolfgang ; Peters, Günther H. J. ; Streicher, Werner W. ; Lund, Mikael LU
and Harris, Pernille
(2022)
In Molecular Pharmaceutics
19(2).
p.508-519
- Contribution to journal › Article
-
Mark
How general is the effect of the bulkiness of organic ligands on the basicity of metal-organic catalysts? H2-evolving Mo oxides/sulphides as case studies
Rovaletti, Anna ; Ryde, Ulf LU
; Moro, Giorgio
; Cosentino, Ugo
and Greco, Claudio
LU
(2022)
In Physical chemistry chemical physics : PCCP
24(48).
p.29471-29479
- Contribution to journal › Article
-
Mark
Hybrids between Rubus caesius and Rubus sect. Corylifolii (Rosaceae) and their relation to R. cyclomorphus, R. tiliaster, R. glauciformis, R. slesvicensis and R. firmus
Lewin, Marcus ; Zhou, Mingyue ; Montes, Melanie S. ; Mattsson, Tore ; Burén, Tomas ; Hedrén, Mikael LU and Ryde, Ulf LU
(2022)
In Nordic Journal of Botany
2022(12).
- Contribution to journal › Article
-
Mark
Ultrafast laser spectroscopy uncovers mechanisms of light energy conversion in photosynthesis and sustainable energy materials
Zigmantas, Donatas LU
; Polívka, Tomáš
; Persson, Petter
LU
and Sundström, Villy
LU
(2022)
In Chemical Physics Reviews
3(4).
- Contribution to journal › Article
-
Mark
Assessing the structural and dynamical properties of concentrated solutions of the disordered proteins Histatin 5 and its tandem repeat
(2022)
- Thesis › Doctoral thesis (compilation)
-
Mark
Extending relativistic linear response theory to address solvent effects
(2022)
- Thesis › Doctoral thesis (compilation)
-
Mark
QM/MM Study of Partial Dissociation of S2B for the E2 Intermediate of Nitrogenase
Jiang, Hao LU
; Svensson, Oskar K. G.
LU
and Ryde, Ulf
LU
(2022)
In Inorganic Chemistry
61(45).
p.18067-18076
- Contribution to journal › Article