Computational Chemistry

1 – 10 of 1193

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
…
119
120
next »

2026
Mark Benchmark Study for Calculations of pKa Values of Metal Ligands in Proteins
Haji Dehabadi, Maryam ; Irani, Mehdi ; Jafari, Sonia and Ryde, Ulf ^LU (2026) In Journal of Chemical Theory and Computation 22(14). p.7420-7435
- Contribution to journal › Article
Mark Electrostatics and Charge Regulation Drive Phosphate Accumulation in Cationic Dendrimers
Blanco, Pablo M. ; Balaji, Ganesh ; Dannert, Corinna ; Pineda, Sebastian P. ^LU ; Rey-Castro, Carlos ; Garcés, Josep Lluís ; Košovan, Peter and Dias, Rita S. (2026) In ACS Applied Polymer Materials 8(15). p.13153-13166
- Contribution to journal › Article
Mark Engineering the substrate scope of the thermostable phenolic acid decarboxylase N31 towards sterically hindered phenolic acids
Bauer, Kristin K.F. ; Vaupel, Sonja ; Gay, Jacques ; Vos, Eva ; Wanz, Aron ; Kracher, Daniel ; Schöngassner, Tobias ; Meyer, Lars Erik ; Kamerlin, Shina C.L. ^LU and Kara, Selin , et al. (2026) In Protein Science 35(8).
- Contribution to journal › Article
Mark Numerical studies of strong protein interactions
Vinterbladh, Isabel ^LU (2026)
- Thesis › Licentiate thesis
Mark Fractal Quantum Nambu Mechanics
Khalili Golmankhaneh, Alireza ; Pasechnik, Roman ^LU ; Jørgensen, Palle E.T. and Li, Shuming (2026) In Foundations of Physics 56(1).
- Contribution to journal › Article
Mark Conformational Dynamics and Catalytic Backups in a Hyper-thermostable Engineered Archaeal Protein Tyrosine Phosphatase
Yehorova, Dariia ; Alansson, Nikolas ; Shen, Ruidan ; Denson, Joshua M. ; Robinson, Michael ; Risso, Valeria A. ; Ramirez Molina, Nuria ; Loria, J. Patrick ; Gaucher, Eric A. and Sanchez-Ruiz, Jose M. , et al. (2026) In JACS Au 6(1). p.59-81
- Contribution to journal › Article
Mark Loop dynamics, allostery, and function in protein tyrosine phosphatases : insights from molecular simulations
Welsh, Colin L. and Kamerlin, Shina Caroline Lynn ^LU (2026) In Biochemical Society Transactions 54(1). p.1-12
- Contribution to journal › Scientific review
Mark Prospects for neutron protein crystallography at the European Spallation Source
Oksanen, Esko ^LU (2026) In Structure 34(1). p.6-9
- Contribution to journal › Debate/Note/Editorial
Mark Linear-scaling aspherical crystallographic refinement of proteins : A case study for crambin and rubredoxin
Bergmann, Justin ^LU ; Kleemiss, Florian ; Creutzberg, Joel ^LU ; Oksanen, Esko ^LU and Ryde, Ulf ^LU (2026) In IUCrJ 13. p.53-62
- Contribution to journal › Article
Mark Can ferric-oxyl excited states explain elongated iron-oxygen bonds in heme peroxidase catalytic intermediates?
Williams, Lewis J. ; Kamps, Jos J.A.G. ; Brânzanic, Adrian M. V. ; Lehene, Maria ; Lundgren, Kristoffer J. M. ^LU ; Ryde, Ulf ^LU ; Chatterjee, Kuntal ; Doyle, Margaret D. ; Simon, Philipp S. and Makita, Hiroki , et al. (2026) In Nature Communications 17.
- Contribution to journal › Article

« previous
1
2
3
4
…
119
120
next »