Computational Chemistry

11 – 20 of 1114

show: 10
|
sort: year (new to old)

News feed Embed this list Save this search Mark all Export

Cancel

Embed this list

copy and paste the html snippet below into your own page:

<iframe src="https://lup.lub.lu.se/search/organization/V1000659?embed=1&amp;hide_pagination=1&amp;hide_info=1&amp;hide_options=1"
  width="100%"
  height="400"
  allowtransparency="true"
  frameborder="0">
</iframe>

« previous
1
2
3
4
5
…
112
next »

2024
Mark Tailoring the Photophysical Properties of a Homoleptic Iron(II) Tetra N-Heterocyclic Carbene Complex by Attaching an Imidazolium Group to the (C^∧N^∧C) Pincer Ligand─A Comparative Study
Prakash, Om ^LU ; Lindh, Linnea ^LU ; Gupta, Arvind Kumar ^LU ; Hoang Hai, Yen Tran ^LU ; Kaul, Nidhi ; Chábera, Pavel ^LU ; Lindgren, Fredrik ; Ericsson, Tore ; Häggström, Lennart and Strand, Daniel ^LU , et al. (2024) In Inorganic Chemistry 63(6). p.2909-2918
- Contribution to journal › Article
Mark Variational Pair-Density Functional Theory : Dealing with Strong Correlation at the Protein Scale
Scott, Mikael ^LU ; Rodrigues, Gabriel L.S. ^LU ; Li, Xin and Delcey, Mickael G. ^LU (2024) In Journal of Chemical Theory and Computation 20(6).
- Contribution to journal › Article
Mark Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53 : A Molecular Dynamics Investigation
Bakker, Michael J. ^LU ; Sørensen, Henrik V. ^LU and Skepö, Marie ^LU (2024) In Journal of Chemical Theory and Computation 20(3). p.1423-1433
- Contribution to journal › Article
Mark Lipid shape and packing are key for optimal design of pH-sensitive mRNA lipid nanoparticles
Tesei, Giulio ^LU ; Hsiao, Ya Wen ; Dabkowska, Aleksandra ; Grõnberg, Gunnar ; Arteta, Marianna Yanez ; Ulkoski, David ; Bray, David J. ; Trulsson, Martin ^LU ; Ulander, Johan and Lund, Mikael ^LU , et al. (2024) In Proceedings of the National Academy of Sciences of the United States of America 121(2).
- Contribution to journal › Article
Mark Exploring the factors influencing the ketoenamine-enolimine tautomeric equilibrium of pyridoxal 5′-phosphate in branched-chain aminotransferases
Li, Xue ; Yu, He ; Sun, Jiaqi and Sun, Xiaoli ^LU (2024) In Molecular Catalysis 569.
- Contribution to journal › Article
Mark Time-resolved scattering methods for biological samples at the CoSAXS beamline, MAX IV Laboratory
Herranz-Trillo, Fátima ^LU ; Sørensen, Henrik Vinther ^LU ; Dicko, Cedric ^LU ; Pérez, Javier ; Lenton, Samuel ^LU ; Foderà, Vito ; Fornell, Anna ^LU ; Skepö, Marie ^LU ; Plivelic, Tomás S. ^LU and Berntsson, Oskar ^LU , et al. (2024) In Methods in Enzymology 709. p.245-296
- Chapter in Book/Report/Conference proceeding › Book chapter
Mark Strong-coupling effective-field theory for asymmetrically charged plates with counterions only
Šamaj, Ladislav ; Trizac, Emmanuel and Trulsson, Martin ^LU (2024) In Physical Review E 110(1).
- Contribution to journal › Article
Mark The winter holidays are glorious-except when they're not
Kamerlin, Shina Caroline Lynn ^LU (2024) In EMBO Reports 25(12). p.5223-5224
- Contribution to journal › Debate/Note/Editorial
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 Investigating the Substrate Oxidation Mechanism in Lytic Polysaccharide Monooxygenase : H₂O₂- versus O₂-Activation
Hagemann, Marlisa M. ^LU ; Wieduwilt, Erna K. ; Ryde, Ulf ^LU and Hedegård, Erik D. ^LU (2024) In Inorganic Chemistry 63(46). p.21929-21940
- Contribution to journal › Article

« previous
1
2
3
4
5
…
112
next »