Computational Chemistry
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- 2022
-
Mark
Extending relativistic linear response theory to address solvent effects
(2022)
- Thesis › Doctoral thesis (compilation)
-
Mark
Computational protein crystallography : How to get the most out of your data
(2022)
- Thesis › Doctoral thesis (compilation)
-
Mark
Polymer-Mediated Interactions and Phase Behaviour of Polymer-Particle Dispersions
(2022)
- Thesis › Doctoral thesis (compilation)
-
Mark
Borylation in the Second Coordination Sphere of FeIICyanido Complexes and Its Impact on Their Electronic Structures and Excited-State Dynamics
Schmid, Lucius ; Chábera, Pavel LU ; Rüter, Isabelle ; Prescimone, Alessandro ; Meyer, Franc ; Yartsev, Arkady LU
; Persson, Petter
LU
and Wenger, Oliver S.
(2022)
In Inorganic Chemistry
61(40).
p.15853-15863
- 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
Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model and Molecular Simulation
- Contribution to journal › Article
-
Mark
Dip-and-pull ambient pressure photoelectron spectroscopy as a spectroelectrochemistry tool for probing molecular redox processes
Temperton, Robert H. LU ; Kawde, Anurag LU ; Eriksson, Axl LU ; Wang, Weijia LU ; Kokkonen, Esko LU
; Jones, Rosemary
LU
; Gericke, Sabrina Maria
LU
; Zhu, Suyun
LU
; Quevedo, Wilson
and Seidel, Robert
, et al.
(2022)
In Journal of Chemical Physics
157(24).
- 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
Molecular dynamics simulations of the adsorption of an intrinsically disordered protein: Force field and water model evaluation in comparison with experiments
Koder Hamid, Mona LU ; Månsson, Linda K. LU ; Meklesh, Viktoriia LU ; Persson, Per LU and Skepö, Marie LU
(2022)
In Frontiers in Molecular Biosciences
9.
- Contribution to journal › Article
-
Mark
From dilute to concentrated solutions of intrinsically disordered proteins: Sample preparation and data collection
Lenton, Samuel LU ; Tully, Mark D. and Skepö, Marie LU
(2022)
In Methods in Enzymology
677.
p.457-478
- Chapter in Book/Report/Conference proceeding › Book chapter