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- 2024
-
A comprehensive exploration of structural and electronic properties of molybdenum clusters
Wei, Yao
; Veryazov, Valera
LU
and Kantorovich, Lev
(2024)
In APL Materials
12(3).
- Contribution to journal › Article
-
Hydrogen bonding in glassy trehalose-water system : Insights from density functional theory and molecular dynamics simulations
Kocherbitov, Vitaly
LU
; Music, Denis
and Veryazov, Valera
LU
(2024)
In Journal of Chemical Physics
160(8).
- Contribution to journal › Article
-
A multi-scale numerical approach to study monoclonal antibodies in solution
Polimeni, Marco
LU
; Zaccarelli, Emanuela
; Gulotta, Alessandro
LU
; Lund, Mikael
LU
; Stradner, Anna
LU
and Schurtenberger, Peter
LU
(2024)
In APL Bioengineering
8(1).
- Contribution to journal › Article
-
Lipid shape and packing are key for optimal design of pH-sensitive mRNA lipid nanoparticles
Tesei, Giulio
LU
; Hsiao, Ya Wen
; Dabkowska, Aleksandra
; Grõnberg, Gunnar
; Arteta, Marianna Yanez
; Ulkoski, David
; Bray, David J.
; Trulsson, Martin
LU
; Ulander, Johan
and Lund, Mikael
LU
, et al.
(2024)
In Proceedings of the National Academy of Sciences of the United States of America
121(2).
- Contribution to journal › Article
- 2023
-
An embedded cluster CASPT2 study of the Ce:YVO4 spectrum
Larsson, Dennis
LU
and Veryazov, Valera
LU
(2023)
In The Journal of chemical physics
159(11).
- Contribution to journal › Article
-
Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53 : A Molecular Dynamics Investigation
(2023)
In Journal of Chemical Theory and Computation
- Contribution to journal › Article
-
From dilute to concentrated solutions of intrinsically disordered proteins : Interpretation and analysis of collected data
(2023)
In Methods in Enzymology
678.
p.299-330
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Particle Adsorption Using a Quartz Crystal Microbalance with Dissipation by Applying a Kelvin-Voigt-Based Viscoelastic Model and the Gauss-Newton Method
(2023)
In Analytical Chemistry
95(41).
p.15286-15292
- Contribution to journal › Article
-
Phase transitions of ionic fluids in nanoporous electrodes
(2023)
In European Physical Journal E
46(10).
- Contribution to journal › Article
-
Interaction of a Histidine-Rich Antimicrobial Saliva Peptide with Model Cell Membranes : The Role of Histidines
(2023)
In Langmuir : the ACS journal of surfaces and colloids
39(22).
p.7694-7706
- Contribution to journal › Article
-
Anion-Specific Adsorption of Carboxymethyl Cellulose on Cellulose
(2023)
In Langmuir : the ACS journal of surfaces and colloids
39(42).
p.15014-15021
- Contribution to journal › Article
-
Simulations of phase transitions and capacitance, of simple ionic fluids in porous electrodes
(2023)
In Electrochimica Acta
437.
- Contribution to journal › Article
-
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry
Li Manni, Giovanni
; Aquilante, Francesco
LU
; Delcey, Mickael
LU
; De Vico, Luca
LU
; Guo, Meiyuan
LU
; Nguyen, Vu
; Veryazov, Valera
LU
; Zhou, Chen
and Lindh, Roland
LU
(2023)
In Journal of Chemical Theory and Computation
19(20).
p.6933-6991
- Contribution to journal › Article
-
Salt Effects on Caffeine across Concentration Regimes
Hervø-Hansen, Stefan
LU
; Polák, Jakub
LU
; Tomandlová, Markéta
; Dzubiella, Joachim
; Heyda, Jan
and Lund, Mikael
LU
(2023)
In Journal of Physical Chemistry B
127(48).
p.10253-10265
- Contribution to journal › Article
-
Anisotropic protein-protein interactions in dilute and concentrated solutions
Pasquier, Coralie
LU
; Midtgaard, Søren Roi
; Polimeni, Marco
LU
; Jørgensen, Christian Isak
LU
; Arleth, Lise
; Callisen, Thomas H.
and Lund, Mikael
LU
(2023)
In Journal of Colloid and Interface Science
629.
p.794-804
- Contribution to journal › Article