Computational Chemistry

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2022
Mark Molecular dynamics simulations and solid-state nuclear magnetic resonance spectroscopy measurements of C–H bond order parameters and effective correlation times in a POPC-GM3 bilayer
Fridolf, Simon ^LU ; Koder Hamid, Mona ^LU ; Svenningsson, Leo ^LU ; Skepö, Marie ^LU ; Sparr, Emma ^LU and Topgaard, Daniel ^LU (2022) In Physical Chemistry Chemical Physics 24(41). p.25588-25601
- Contribution to journal › Article
Mark Self-Interactions of Two Monoclonal Antibodies : Small-Angle X-ray Scattering, Light Scattering, and Coarse-Grained Modeling
Mahapatra, Sujata ; Polimeni, Marco ^LU ; Gentiluomo, Lorenzo ; Roessner, Dierk ; Frieß, Wolfgang ; Peters, Günther H. J. ; Streicher, Werner W. ; Lund, Mikael ^LU and Harris, Pernille (2022) In Molecular Pharmaceutics 19(2). p.508-519
- Contribution to journal › Article
Mark Interactions between conducting surfaces in salt solutions
Stenberg, Samuel ^LU ; Woodward, Clifford E. and Forsman, Jan ^LU (2022) In Soft Matter 18(8). p.1636-1643
- Contribution to journal › Article
Mark On stability and relaxation techniques for partitioned fluid-structure interaction simulations
Lorentzon, Johan ^LU and Revstedt, Johan ^LU (2022) In Engineering Reports 4(10).
- Contribution to journal › Article
Mark The influence of hydrodynamic damping on the motion of an immersed elastic cantilever
Lorentzon, J. ^LU ; Revstedt, J. ^LU and Austrell, P.E. ^LU (2022) In European Journal of Mechanics B - Fluids 95.
- Contribution to journal › Article
Mark Can Water Act as a Nucleophile in CO Oxidation Catalysed by Mo/Cu CO-Dehydrogenase? Answers from Theory
Rovaletti, Anna ; Moro, Giorgio ; Cosentino, Ugo ; Ryde, Ulf ^LU and Greco, Claudio ^LU (2022) In ChemPhysChem 23(8).
- Contribution to journal › Article
Mark Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in Proteins
Jafari, Sonia ; Tavares Santos, Yakini A. ; Bergmann, Justin ^LU ; Irani, Mehdi ^LU and Ryde, Ulf ^LU (2022) In Inorganic Chemistry 61(16). p.5991-6007
- Contribution to journal › Article
Mark Bone mineral : A trojan horse for bone cancers. Efficient mitochondria targeted delivery and tumor eradication with nano hydroxyapatite containing doxorubicin
Liu, Yang ^LU ; Nadeem, Aftab ^LU ; Sebastian, Sujeesh ^LU ; Olsson, Martin A. ^LU ; Wai, Sun N. ; Styring, Emelie ^LU ; Engellau, Jacob ^LU ; Isaksson, Hanna ^LU ; Tägil, Magnus ^LU and Lidgren, Lars ^LU , et al. (2022) In Materials Today Bio 14.
- Contribution to journal › Article
Mark A modified Jarzynski free-energy estimator to eliminate non-conservative forces and its application in nanoparticle-membrane interactions
Hosseini, Atiyeh Najla ; Lund, Mikael ^LU and Ejtehadi, Mohammad Reza (2022) In Physical Chemistry Chemical Physics 24(6). p.3647-3654
- Contribution to journal › Article
Mark Anion-cation contrast of small molecule solvation in salt solutions
Hervø-Hansen, Stefan ^LU ; Heyda, Jan ; Lund, Mikael ^LU and Matubayasi, Nobuyuki (2022) In Physical Chemistry Chemical Physics 24(5). p.3238-3249
- Contribution to journal › Article

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