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- 2019
-
Mark
Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase
Caldararu, Octav LU ; Oksanen, Esko LU ; Ryde, Ulf LU
and Hedegård, Erik D.
LU
(2019)
In Chemical Science
10(2).
p.576-586
- Contribution to journal › Article
-
Mark
Luminescence and reactivity of a charge-transfer excited iron complex with nanosecond lifetime
- Contribution to journal › Article
-
Mark
Many-body effects in a binary nano-particle mixture dispersed in ideal polymer solutions
- Contribution to journal › Article
-
Mark
Extremely large differences in DFT energies for nitrogenase models
- Contribution to journal › Article
-
Mark
Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects
Kumar, Rohit LU ; Peterson, Kristoffer LU ; Misini Ignjatović, Majda LU ; Leffler, Hakon LU ; Ryde, Ulf LU
; Nilsson, Ulf J.
LU
and Logan, Derek T.
LU
(2019)
In Organic and Biomolecular Chemistry
17(5).
p.1081-1089
- Contribution to journal › Article
-
Mark
Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding
Verteramo, Maria Luisa LU ; Stenström, Olof LU ; Ignjatović, Majda Misini LU ; Caldararu, Octav LU ; Olsson, Martin A. LU ; Manzoni, Francesco LU ; Leffler, Hakon LU ; Oksanen, Esko LU ; Logan, Derek T. LU
and Nilsson, Ulf J.
LU
, et al.
(2019)
In Journal of the American Chemical Society
141(5).
p.2012-2026
- Contribution to journal › Article
-
Mark
Molecular insight into carboxylic acid-alkali metal cations interactions : Reversed affinities and ion-pair formation revealed by non-linear optics and simulations
Sthoer, Adrien ; Hladílková, Jana LU ; Lund, Mikael LU
and Tyrode, Eric
(2019)
In Physical Chemistry Chemical Physics
21(21).
p.11329-11344
- Contribution to journal › Article
-
Mark
Theoretical studies of protein-ligand binding
(2019)
- Thesis › Doctoral thesis (compilation)
-
Mark
Are crystallographic : B-factors suitable for calculating protein conformational entropy?
Caldararu, Octav LU ; Kumar, Rohit LU ; Oksanen, Esko LU ; Logan, Derek T. LU
and Ryde, Ulf
LU
(2019)
In Physical Chemistry Chemical Physics
21(33).
p.18149-18160
- Contribution to journal › Article
-
Mark
Triplet excitation energies from multiconfigurational short-range density-functional theory response calculations
- Contribution to journal › Article