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- 2017
-
Mark
Structural Characterization of Histatin 5-Spermidine Conjugates : A Combined Experimental and Theoretical Study
Jephthah, Stephanie LU ; Henriques, Joao LU ; Cragnell, Carolina LU ; Puri, Sumant ; Edgerton, Mira and Skepö, Marie LU
(2017)
In Journal of Chemical Information and Modeling
57(6).
p.1330-1341
- Contribution to journal › Article
-
Mark
Assembling oppositely charged lock and key responsive colloids: A mesoscale analog of adaptive chemistry
Mihut, Adriana M. LU ; Stenqvist, Björn LU ; Lund, Mikael LU
; Schurtenberger, Peter
LU
and Crassous, Jerome
LU
(2017)
In Science Advances
3(9).
p.1700321-1700321
- Contribution to journal › Article
-
Mark
Can System Truncation Speed up Ligand-Binding Calculations with Periodic Free-Energy Simulations?
Manzoni, Francesco LU ; Uranga, Jon ; Genheden, Samuel LU and Ryde, Ulf LU
(2017)
In Journal of Chemical Information and Modeling
57(11).
p.2865-2873
- Contribution to journal › Article
-
Mark
How Many Conformations Need to Be Sampled to Obtain Converged QM/MM Energies? the Curse of Exponential Averaging
- Contribution to journal › Article
-
Mark
Swelling and Microstructure of Nanoplatelet Systems
(2017)
- Thesis › Doctoral thesis (compilation)
-
Mark
Comparison of QM/MM Methods To Obtain Ligand-Binding Free Energies
Olsson, Martin A. LU and Ryde, Ulf LU
(2017)
In Journal of Chemical Theory and Computation
13(5).
p.2245-2253
- Contribution to journal › Article
-
Mark
Molecular Simulations of Melittin-Induced Membrane Pores
- Contribution to journal › Article
-
Mark
The electronic structure of negatively charged fullerenes : From monomers to dimers
Naderi, Fereshteh and Veryazov, Valera LU
(2017)
International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017
1906.
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
-
Mark
A low-spin Fe(iii) complex with 100-ps ligand-to-metal charge transfer photoluminescence
- Contribution to journal › Article
-
Mark
Multiconfigurational Study of the Electronic Structure of Negatively Charged Fullerens
Naderi, Fereshteh and Veryazov, Valera LU
(2017)
In Journal of Chemistry and Chemical Engineering
11.
p.30-30
- Contribution to journal › Article