Computational Chemistry
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- 2024
-
Mark
Reaction Mechanism for CO Reduction by Mo-Nitrogenase Studied by QM/MM
- Contribution to journal › Article
-
Mark
Cluster Formation Induced by Local Dielectric Saturation in Restricted Primitive Model Electrolytes
Ribar, David LU
; Woodward, Clifford E.
; Nordholm, Sture
and Forsman, Jan
LU
(2024)
In The Journal of Physical Chemistry Letters
15(32).
p.8326-8333
- Contribution to journal › Article
-
Mark
Unraveling the Binding Mode of Cyclic Adenosine–Inosine Monophosphate (cAIMP) to STING through Molecular Dynamics Simulations
Wang, Meiting LU ; Fan, Baoyi ; Lu, Wenfeng ; Ryde, Ulf LU
; Chang, Yuxiao
; Han, Di
; Lu, Jiarui
; Liu, Taigang
; Gao, Qinghe
and Chen, Changpo
, et al.
(2024)
In Molecules
29(11).
- 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
Interactions of intrinsically disordered peptides with phospholipid bilayers
(2024)
- Thesis › Doctoral thesis (compilation)
-
Mark
CO Oxidation Mechanism of Silver-Substituted Mo/Cu CO-Dehydrogenase – Analogies and Differences to the Native Enzyme
Rovaletti, Anna ; Moro, Giorgio ; Cosentino, Ugo ; Ryde, Ulf LU
and Greco, Claudio
(2024)
In ChemPhysChem
25(13).
- Contribution to journal › Article
-
Mark
Putative reaction mechanism of nitrogenase with a half-dissociated S2B ligand
- 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
- Contribution to journal › Article
-
Mark
Translocation of Antimicrobial Peptides across Model Membranes : The Role of Peptide Chain Length
- Contribution to journal › Article