Computational Chemistry

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2025
Mark The Cu_B site in particulate methane monooxygenase may be used to produce hydrogen peroxide
Lundgren, Kristoffer J.M. ^LU ; Cao, Lili ^LU ; Torbjörnsson, Magne ^LU ; Hedegård, Erik D. ^LU and Ryde, Ulf ^LU (2025) In Dalton Transactions 54(8). p.3141-3156
- Contribution to journal › Article
Mark Exceptionally Strong Double-Layer Barriers Generated by Polyampholyte Salt
Ribar, David ^LU ; Woodward, Clifford E. and Forsman, Jan ^LU (2025) In Journal of Physical Chemistry B 129(17). p.4241-4248
- Contribution to journal › Article
Mark Embedded cluster approach for accurate electronic structure calculations of ²²⁹Th :CaF₂
Nalikowski, Kamil ^LU ; Veryazov, Valera ^LU ; Beeks, Kjeld ; Schumm, Thorsten and Krośnicki, Marek (2025) In Physical Review B 111(11).
- Contribution to journal › Article
Mark Strong electrostatic attraction drives milk heteroprotein complex coacervation
Vinterbladh, Isabel ^LU ; Soussi, Rima Hachfi ; Forsman, Jan ^LU ; Bouhallab, Said and Lund, Mikael ^LU (2025) In International Journal of Biological Macromolecules 286.
- Contribution to journal › Article
Mark Coherent photoproduction of light vector mesons off nuclear targets in the dipole picture
Henkels, Cheryl ; de Oliveira, Emmanuel G. ; Pasechnik, Roman ^LU and Trebien, Haimon (2025) In Nuclear Physics A 1055.
- Contribution to journal › Article
Mark Lysozyme revisited
Oksanen, Esko ^LU (2025) In Structure 33(1). p.6-7
- Contribution to journal › Debate/Note/Editorial
Mark Assessing the interaction between the N-terminal region of the membrane protein magnesium transporter A and a lipid bilayer
Skog, Amanda Eriksson ^LU ; Jones, Nykola C. ; Månsson, Linda K. ^LU ; Morth, Jens Preben ; Vrønning Hoffmann, Søren ; Gerelli, Yuri and Skepö, Marie ^LU (2025) In Journal of Colloid and Interface Science 683. p.663-674
- Contribution to journal › Article
Mark Predicting Reduction Potentials of Blue Copper Proteins Using Quantum Mechanical Calculations
Dehabadi, Maryam Haji ; Irani, Mehdi ^LU and Ryde, Ulf ^LU (2025) In Inorganic Chemistry
- Contribution to journal › Article
Mark Exploring the high sensitivity of DFT thermochemistry for protonation states of a ferredoxin model complex [ C H 3 S 4 Fe 2 III S 2 H ] −
Vysotskiy, Victor P. ^LU and Ryde, Ulf ^LU (2025) In Journal of Chemical Physics 162(16).
- Contribution to journal › Article
Mark Receptor Binding for the Entry Mechanisms of SARS-CoV-2 : Insights from the Original Strain and Emerging Variants
Mahdi, Mohamed ; Kiarie, Irene Wanjiru ; Mótyán, János András ; Hoffka, Gyula ^LU ; Al-Muffti, Aya Shamal ; Tóth, Attila and Tőzsér, József (2025) In Viruses 17(5).
- Contribution to journal › Scientific review

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