Computational Chemistry
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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
Assessing the Intricate Balance of Intermolecular Interactions upon Self-Association of Intrinsically Disordered Proteins
Rieloff, Ellen LU ; Tully, Mark D. and Skepö, Marie LU
(2019)
In Journal of Molecular Biology
431(3).
p.511-523
- Contribution to journal › Article
-
Mark
Luminescence and reactivity of a charge-transfer excited iron complex with nanosecond lifetime
- 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
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
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
QM/MM study of the conversion of biliverdin into verdoheme by heme oxygenase
Alavi, Fatemeh Sadat ; Zahedi, Mansour ; Safari, Nasser and Ryde, Ulf LU
(2019)
In Theoretical Chemistry Accounts
138(5).
- Contribution to journal › Article
-
Mark
Dynamical Oligomerisation of Histidine Rich Intrinsically Disordered ProteinS Is Regulated through Zinc-Histidine Interactions
Cragnell, Carolina LU ; Staby, Lasse ; Lenton, Samuel LU ; Kragelund, Birthe B. and Skepö, Marie LU
(2019)
In Biomolecules
9(5).
- Contribution to journal › Article
-
Mark
Impact of effective polarisability models on the near-field interaction of dissolved greenhouse gases at ice and air interfaces
- Contribution to journal › Article