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- 2023
-
Chemometrics in Protein Formulation : Stability Governed by Repulsion and Protein Unfolding
(2023)
In Molecular Pharmaceutics
20(6).
p.2951-2965
- Contribution to journal › Article
- 2022
-
Convergence of Electronic Structure Properties in Ionic Oxides Within a Fragment Approach
Larsson, Ernst D.
LU
and Veryazov, Valera
LU
(2022)
In Frontiers in Chemistry
10.
- Contribution to journal › Article
-
Multiscale Modelling of Atomistic Structure of Calcium Silicate Hydrate
Abrikosov, Alexei I.
and Veryazov, Valera
LU
(2022)
In Solid State Phenomena
338.
p.123-128
- Contribution to journal › Article
-
A program system for self-consistent embedded potentials for ionic crystals
Larsson, Ernst D.
LU
; Krośnicki, Marek
and Veryazov, Valera
LU
(2022)
In Chemical Physics
562.
- Contribution to journal › Article
-
From dilute to concentrated solutions of intrinsically disordered proteins: Sample preparation and data collection
(2022)
In Methods in Enzymology
677.
p.457-478
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Benchmarking ANO-R basis set for multiconfigurational calculations
Larsson, E D
LU
; Zobel, J P
LU
and Veryazov, V
LU
(2022)
In Electronic Structure
4(1).
- Contribution to journal › Article
-
Clustering and cross-linking of the wheat storage protein α-gliadin : A combined experimental and theoretical approach
(2022)
In International Journal of Biological Macromolecules
211.
p.592-615
- Contribution to journal › Article
-
Molecular dynamics simulations of the adsorption of an intrinsically disordered protein: Force field and water model evaluation in comparison with experiments
(2022)
In Frontiers in Molecular Biosciences
9.
- Contribution to journal › Article
-
Boundary-Monte Carlo Method for Neutral and Charged Confined Fluids
(2022)
In Journal of Chemical Theory and Computation
18(6).
p.3766-3780
- Contribution to journal › Article
-
Interactions between conducting surfaces in salt solutions
(2022)
In Soft Matter
18(8).
p.1636-1643
- Contribution to journal › Article
-
Molecular dynamics simulations and solid-state nuclear magnetic resonance spectroscopy measurements of C–H bond order parameters and effective correlation times in a POPC-GM3 bilayer
(2022)
In Physical Chemistry Chemical Physics
24(41).
p.25588-25601
- Contribution to journal › Article
-
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
-
Electronic polarization effects on membrane translocation of anti-cancer drugs
Najla Hosseini, Atiyeh
; Lund, Mikael
LU
and Ejtehadi, Mohammad Reza
(2022)
In Physical Chemistry Chemical Physics
24(20).
p.12281-12292
- Contribution to journal › Article
-
Anion-cation contrast of small molecule solvation in salt solutions
Hervø-Hansen, Stefan
LU
; Heyda, Jan
; Lund, Mikael
LU
and Matubayasi, Nobuyuki
(2022)
In Physical Chemistry Chemical Physics
24(5).
p.3238-3249
- Contribution to journal › Article
-
Counterintuitive Electrostatics upon Metal Ion Coordination to a Receptor with Two Homotopic Binding Sites
Aspelin, Vidar
LU
; Lidskog, Anna
LU
; Solano Arribas, Carlos
; Hervø-Hansen, Stefan
LU
; Stenqvist, Björn
LU
; Chudoba, Richard
LU
; Wärnmark, Kenneth
LU
and Lund, Mikael
LU
(2022)
In Journal of the American Chemical Society
144(7).
p.2921-2932
- Contribution to journal › Article