Oxford University, Structural Bioinformatics & Computational Biochemistry Unit
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Dr Heidi Koldsø

Structural Bioinformatics and Computational Biochemistry Unit
Dept. of Biochemistry
University of Oxford
South Parks Road

Telephone: 01865 613304
Fax: 01865 613238

e-mail: heidi.koldsoe@bioch.ox.ac.uk

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Coarse-grained and atomistic molecular dynamics simulations of signaling complexes


I obtained my BSc, MSc and PhD degrees in Medicinal Chemistry from Aarhus University, Aarhus, Denmark. My PhD research was mainly focused on homology modelling, induced fit docking and molecular dynamics simulations of human monoamine transporters.
Additionally, effects of post-translational modfications, pH and pathogenic mutations on two amyloid proteins (Prion and FAS1-4 domain of TGFBIp) were explored by molecuar dynamics simulations.


My current research is focused on the properties of gp130 cytokine receptor complexes studied by coarse-grained and atomistic molecular dynamics simulations. Additionally, I am working on methods to construct very complex physiological relevant asymmetric membranes.
The work is supported by the Alfred Benzon Foundation
I was a co-PI on a awarded grant for 5 million core hours on the UK based STFC's Blue Gene/Q for a projected concerning complex and crowded membranes. I am currently co-PI on a successful PRACE grant application (2014-2015) focused on curvature in large lipid bilayer systems (12.7 million CPU hours).


Google Scholar Profile
h-index: 7
total citations: 159
(citation statistics: Google Scholar, March, 2015)

*Equal contributions, #Corresponding Author
  1. Hedger, G; Sansom, M. S. P., Koldsø, H.# (2015) The juxtamembrane regions of human receptor tyrosine kinases exhibit conserved interaction sites with anionic lipids
    Scientific Reports, 5, 9198, doi:10.1038/srep09198 Link
  2. Grouleff, J.; Søndergaard, S.; Koldsø, H.; Schiøtt, B. (2015) Properties of an inward-facing state of LeuT - conformational stability and substrate release
    Biophys J., 108, 1390-1399 Link
  3. Abd Halim, K. B.; Koldsø, H.; Sansom, M. S. P. (2015) Interactions of the EGFR Juxtamembrane Domain with PIP2-Containing Lipid Bilayers: Insights from Multiscale Molecular Dynamics Simulations
    BBA - General Subjects 1850. 1017-1025 Link
  4. Koldsø, H.; Shorthouse, D.; Helie, J.; Sansom, M. S. P. (2014) Lipid Clustering Correlates with Membrane Curvature as Revealed by Molecular Simulations of Complex Lipid Bilayers
    PLoS Comput Biol 10(10): e1003911. doi:10.1371/journal.pcbi.1003911 Link
  5. Kold, D.; Dauter, Z.; Laustsen, A. K.; Brzozowski, A. M.; Turkenburg, J. P.; Nielsen, A. D.; Koldsø, H.; Petersen, E.; Schiøtt, B.; De Maria, L.; Wilson, K. S.; Svendsen, A.; Wimmer, R. (2014) Thermodynamic and structural investigation of the specific SDS binding of humicola insolens cutinase
    Prot. Sci. doi:10.1002/pro.2489 Link
  6. Andersen, J.; Stuhr-Hansen, N.; Zachariassen, L. G.; Koldsø, H.; Schiøtt, B.; Strømgaard, K.; Kristensen, A. S. (2014) Molecular Basis for Selective Serotonin Re-uptake Inhibition by the Antidepressant Agent Fluoxetine (Prozac)
    Mol. Pharmacol. 85, 703-714 [Cover Image] Link
  7. Severinsen, K.*; Koldsø, H.*; Thorup, K. A. V.*; Schjøth-Eskesen*, C.;Møller, P. T.*; Wiborg, O.; Jensen, H. H.; Sinning, S.; Schiøtt, B. (2014) Binding of Mazindol and Analogs to the human Serotonin and Dopamine Transporters
    Mol. Pharmacol. 85, 208-217 Link
  8. Underhaug, J.; Koldsø, H.; Runager, K.; Nielsen, J. T.;Sørensen, C. S; Kristensen, T.; Otzen, D. E.; Karring, H.; Malmendal, A.; Schiøtt, B.; Enghild, J. J.; Nielsen, N. C. (2013) Mutation in Transforming Growth Factor Beta Induced protein associated with Granular Corneal Dystrophy Type 1 Reduces the Proteolytic Susceptibility through Local Structural Stabilization
    BBA - Protein and Proteomics 1834,2812-2822 Link
  9. Koldsø, H.*; Autzen, H. E.*, Grouleff, J., Schiøtt, B. (2013) Ligand induced conformational changes of the human serotonin transporter revealed by molecular dynamics simulations
    PLoS ONE 8(6): e63635. doi:10.1371/journal.pone.0063635 Link
  10. Koldsø, H.; Sansom, M. S. P. (2012) Local Lipid Reorganization by a Transmembrane Protein Domain
    J. Phys. Chem. Lett. 3, 3498-3502 Link
  11. Storm, T.; Zeitz, C.; Cases, O.; Amsellem, S.; Verroust, P. J.; Madsen, M.; Benoist, J.-F.; Passemard, S.; Lebon, S.; Jønsson, I. M.; Emma, F.; Koldsø, H.; Hertz, J. M.; Nielsen, R.; Christensen, E. I.; Kozyraki, R. (2013) Genotype-phenotype correlation of proximal tubular function in Imerslund-Grasbeck Syndrome
    BMC Medical Genetics 14, 111 Link
  12. Koldsø, H.; Christiansen, A. B.; Sinning, S.; Schiøtt, B. (2013) Comparative Modeling of the human Monoamine Transporters - Similarities in Substrate Binding
    ACS Chem. Neurosci. 4, pp. 295-309 Link
  13. Severinsen, K.*; Kraft, J.*; Koldsø, H.; Vinberg, K.; Rothman, R.; Partilla, J.; Wiborg, O.; Blough, B.; Schiøtt, B.; Sinning, S. (2012) Binding of the Amphetamine-like 1-Phenyl-Piperazine to Monoamine Transporters
    ACS Chem. Neurosci. 3, pp 693-705 Link
  14. Koldsø, H.; Noer, P.; Grouleff, J.; Autzen, H. E. ; Sinning, S.;Schiøtt, B. (2011) Unbiased Simulations Reveal the Inward-Facing Conformation of the Human Serotonin Transporter and Na+ Release
    PLOS. Comp. Biol. 7(10): e1002246 DOI:10.1371/journal.pcbi.1002246 Link
  15. Rasmussen, T. S.; Koldsø, H.; Nakagawa, S.; Kato, A.;Schiøtt, B.; Jensen, H. H. (2011) Synthesis of uronic-Noeurostegine - a potent bacterial β-glucuronidase inhibitor
    Org. Biomol. Chem. 9, 7807-7813 DOI:10.1039/C1OB06038D Link
  16. Koldsø, H.; Severinsen, K.; Tran, T. T.; Celik, L.; Jensen, H. H.; Wiborg, O.; Schiøtt, B.; Sinning, S. (2010) The Two enatiomers of Citalopram Bind to the Human Serotonin Transporter in Reversed Orientations
    J. Am. Chem. Soc. 132, 1311-1322 DOI:10.1021/ja906923j Link
  17. Sinning, S.*; Musgaard, M.*; Jensen, M.*; Severinsen, K.*; Celik, L.*; Koldsø, H.*; Meyer, T.; Bols, M.; Jensen, H. H.; Schiøtt, B.; Wiborg, O. (2010) Binding and orientation of tricyclic antidepressants within the central substrate site of the human serotonin transporter
    J. Biol. Chem. 285, 8363-8374. DOI: 10.1074/jbc.M109.045401 Link
Last updated 17 March 2015