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- 2024
-
Mark
Quantum refinement in real and reciprocal space using the Phenix and ORCA software
Lundgren, Kristoffer J.M. LU ; Caldararu, Octav LU ; Oksanen, Esko and Ryde, Ulf LU
(2024)
In IUCrJ
11(Pt 6).
p.921-937
- Contribution to journal › Article
-
Mark
Reaction mechanism of pyridine radicals with molecular oxygen : A theoretical study
- Contribution to journal › Article
-
Mark
Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models
Hatch, Harold W. ; Bergonzo, Christina ; Blanco, Marco A. ; Yuan, Guangcui ; Grudinin, Sergei ; Lund, Mikael LU
; Curtis, Joseph E.
; Grishaev, Alexander V.
; Liu, Yun
and Shen, Vincent K.
(2024)
In Journal of Chemical Physics
161(9).
- Contribution to journal › Article
-
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
Exploring the factors influencing the ketoenamine-enolimine tautomeric equilibrium of pyridoxal 5′-phosphate in branched-chain aminotransferases
- Contribution to journal › Article
-
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
Proton Transfer Kinetics in Histidine Side Chains Determined by pH-Dependent Multi-Nuclear NMR Relaxation
Raum, Heiner N. ; Modig, Kristofer LU
; Akke, Mikael
LU
and Weininger, Ulrich
LU
(2024)
In Journal of the American Chemical Society
146(32).
p.22284-22294
- 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