Computational Chemistry
31 – 40 of 1143
- show: 10
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=""
width=""
height=""
allowtransparency="true"
frameborder="0">
</iframe>
- 2024
-
Mark
Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH)4H]− Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Vysotskiy, Victor P. LU ; Filippi, Claudia and Ryde, Ulf LU
(2024)
In Journal of Physical Chemistry A
128(7).
p.1358-1374
- Contribution to journal › Article
-
Mark
How Rigidity and Conjugation of Bidentate Ligands Affect the Geometry and Photophysics of Iron N-Heterocyclic Complexes : A Comparative Study
- Contribution to journal › Article
-
Mark
Strong-coupling effective-field theory for asymmetrically charged plates with counterions only
- Contribution to journal › Article
-
Mark
Deeper Insight of the Conformational Ensemble of Intrinsically Disordered Proteins
Svensson, Oskar LU ; Bakker, Michael J. LU and Skepö, Marie LU
(2024)
In Journal of Chemical Information and Modeling
64(15).
p.6105-6114
- Contribution to journal › Article
-
Mark
Translocation of Antimicrobial Peptides across Model Membranes : The Role of Peptide Chain Length
Skog, Amanda E. LU ; Paracini, Nicolò ; Gerelli, Yuri and Skepö, Marie LU
(2024)
In Molecular Pharmaceutics
21(8).
p.4082-4097
- Contribution to journal › Article
-
Mark
Exploring the Functional Landscape of the p53 Regulatory Domain : The Stabilizing Role of Post-Translational Modifications
Bakker, Michael J. LU ; Svensson, Oskar LU ; So̷rensen, Henrik V. LU and Skepö, Marie LU
(2024)
In Journal of Chemical Theory and Computation
20(14).
p.5842-5853
- Contribution to journal › Article
-
Mark
Interplay of halogen bonding and solvation in protein-ligand binding
Verteramo, Maria Luisa LU ; Ignjatović, Majda Misini ; Kumar, Rohit LU ; Wernersson, Sven LU ; Ekberg, Vilhelm LU ; Wallerstein, Johan LU
; Carlström, Göran
LU
; Chadimová, Veronika
; Leffler, Hakon
LU
and Zetterberg, Fredrik
, et al.
(2024)
In iScience
27(4).
- Contribution to journal › Article
-
Mark
Perspective: multi-configurational methods in bio-inorganic chemistry
Jørgensen, Frederik K. ; Delcey, Mickaël G. LU
and Hedegård, Erik D.
LU
(2024)
In Physical Chemistry Chemical Physics
26(25).
p.17443-17455
- Contribution to journal › Scientific review
-
Mark
QM/MM Studies of Nitrogenase
Jiang, Hao LU
(2024)
- Thesis › Doctoral thesis (compilation)
-
Mark
An efficient method to establish electrostatic screening lengths of restricted primitive model electrolytes
Forsman, Jan LU ; Ribar, David LU
and Woodward, Clifford E.
(2024)
In Physical Chemistry Chemical Physics
26(29).
p.19921-19933
- Contribution to journal › Article