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Personal profile

Research areas

Theoretical Chemistry, Computational Chemistry, Molecular Simulations, Computational Biophysics

Fingerprint Dive into the research topics where Jacob Kongsted is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 5 Similar Profiles
embedding Physics & Astronomy
Quantum theory Chemical Compounds
Density functional theory Chemical Compounds
Molecules Chemical Compounds
Molecular mechanics Engineering & Materials Science
proteins Physics & Astronomy
Proteins Engineering & Materials Science
molecular properties Physics & Astronomy

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 2009 2020

Binding and intracellular transport of 25-hydroxycholesterol by Niemann-Pick C2 protein

Petersen, D., Reinholdt, P., Szomek, M., Hansen, S. K., Poongavanam, V., Juhl, A. D., Heegaard, C. W., Krishnan, K., Fujiwara, H., Covey, D. F., Ory, D. S., Kongsted, J. & Wüstner, D., 1. Feb 2020, In : B B A - Biomembranes. 1862, 2, 14 p., 183063.

Research output: Contribution to journalJournal articleResearchpeer-review

Cholesterol
Proteins
Sterols
Fluorescence
Fluorescence Recovery After Photobleaching
6 Downloads (Pure)

Combining polarizable embedding with the Frenkel exciton model: applications to absorption spectra with overlapping solute–solvent bands

Stendevad, J., Kongsted, J. & Steinmann, C., 1. Mar 2019, In : Theoretical Chemistry Accounts. 138, 3, 41.

Research output: Contribution to journalJournal articleResearchpeer-review

File
embedding
Absorption spectra
excitons
absorption spectra
solutes

Computational Characterization of a Cholesterol-Based Molecular Rotor in Lipid Membranes

Reinholdt, P., Wind, S., Wüstner, D. & Kongsted, J., 2019, In : Journal of Physical Chemistry B. 123, 34, p. 7313-7326 14 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Cholesterol
cholesterol
Membrane Lipids
rotors
lipids
15 Downloads (Pure)

Computational Modeling Explains the Multi Sterol Ligand Specificity of the N-Terminal Domain of Niemann-Pick C1-Like 1 Protein

Poongavanam, V., Kongsted, J. & Wüstner, D., 2019, In : ACS Omega. 4, 25, p. 20894-20904 11 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
Cholesterol
Sterols
Ligands
Proteins
Molecular mechanics

CPPE: An Open-Source C++ and Python Library for Polarizable Embedding

Scheurer, M., Reinholdt, P., Kjellgren, E. R., Haugaard Olsen, J. M., Dreuw, A. & Kongsted, J., 12. Nov 2019, In : Journal of Chemical Theory and Computation. 15, 11, p. 6154-6163 10 p.

Research output: Contribution to journalJournal articleResearchpeer-review

embedding
high level languages
rapid prototyping
High level languages
experimentation

Activities 2009 2018

Journal of Physical Chemistry Letters (Journal)

Jacob Kongsted (Peer reviewer)
2018

Activity: Editorial work and peer reviewPeer review of manuscriptsResearch

Physical Chemistry Chemical Physics (Journal)

Jacob Kongsted (Peer reviewer)
2018

Activity: Editorial work and peer reviewPeer review of manuscriptsResearch

Physical Chemistry Chemical Physics (Journal)

Jacob Kongsted (Peer reviewer)
2018

Activity: Editorial work and peer reviewPeer review of manuscriptsResearch

Physical Chemistry Chemical Physics (Journal)

Jacob Kongsted (Peer reviewer)
2018

Activity: Editorial work and peer reviewPeer review of manuscriptsResearch

Physical Chemistry Chemical Physics (Journal)

Jacob Kongsted (Peer reviewer)
2018

Activity: Editorial work and peer reviewPeer review of manuscriptsResearch

Projects 2009 2022

Press / Media

Filosoffen tillader smugkiggeri - og Agedrup Rundt jubilerer

Jacob Kongsted

09/12/2019

1 Media contribution

Press/Media: Press / Media

Filosoffen tillader smugkiggeri - og Agedrup Rundt jubilerer

Jacob Kongsted

06/12/2019

1 Media contribution

Press/Media: Press / Media