Kongsted J - Search Results

1

Computational Approach to Evaluation of Optical Properties of Membrane Probes.

Nåbo LJ, List NH, Steinmann C, Kongsted J. Nåbo LJ, et al. Among authors: kongsted j. J Chem Theory Comput. 2017 Feb 14;13(2):719-726. doi: 10.1021/acs.jctc.6b01017. Epub 2017 Jan 18. J Chem Theory Comput. 2017. PMID: 28042967

2

Density functional theory/molecular mechanics approach for electronic g-tensors of solvated molecules.

Rinkevicius Z, Murugan NA, Kongsted J, Aidas K, Steindal AH, Agren H. Rinkevicius Z, et al. Among authors: kongsted j. J Phys Chem B. 2011 Apr 21;115(15):4350-8. doi: 10.1021/jp1108653. Epub 2011 Mar 30. J Phys Chem B. 2011. PMID: 21449574

3

Hybrid density functional theory/molecular mechanics calculations of two-photon absorption of dimethylamino nitro stilbene in solution.

Arul Murugan N, Kongsted J, Rinkevicius Z, Aidas K, Mikkelsen KV, Ågren H. Arul Murugan N, et al. Among authors: kongsted j. Phys Chem Chem Phys. 2011 Jul 21;13(27):12506-16. doi: 10.1039/c1cp20611g. Epub 2011 Jun 9. Phys Chem Chem Phys. 2011. PMID: 21660320

4

Color modeling of protein optical probes.

Murugan NA, Kongsted J, Rinkevicius Z, Ågren H. Murugan NA, et al. Among authors: kongsted j. Phys Chem Chem Phys. 2012 Jan 21;14(3):1107-12. doi: 10.1039/c1cp23060c. Epub 2011 Dec 1. Phys Chem Chem Phys. 2012. PMID: 22134524 Free article.

5

A click chemistry approach to pleuromutilin derivatives, part 2: conjugates with acyclic nucleosides and their ribosomal binding and antibacterial activity.

Dreier I, Kumar S, Søndergaard H, Rasmussen ML, Hansen LH, List NH, Kongsted J, Vester B, Nielsen P. Dreier I, et al. Among authors: kongsted j. J Med Chem. 2012 Mar 8;55(5):2067-77. doi: 10.1021/jm201266b. Epub 2012 Feb 16. J Med Chem. 2012. PMID: 22280300

6

A combined quantum mechanics/molecular mechanics study of the one- and two-photon absorption in the green fluorescent protein.

Steindal AH, Olsen JM, Ruud K, Frediani L, Kongsted J. Steindal AH, et al. Among authors: kongsted j. Phys Chem Chem Phys. 2012 Apr 28;14(16):5440-51. doi: 10.1039/c2cp23537d. Epub 2012 Mar 12. Phys Chem Chem Phys. 2012. PMID: 22407300

7

A polarizable embedding DFT study of one-photon absorption in fluorescent proteins.

Beerepoot MT, Steindal AH, Kongsted J, Brandsdal BO, Frediani L, Ruud K, Olsen JM. Beerepoot MT, et al. Among authors: kongsted j. Phys Chem Chem Phys. 2013 Apr 7;15(13):4735-43. doi: 10.1039/c3cp44659j. Phys Chem Chem Phys. 2013. PMID: 23426505 Free article.

8

Computational screening of one- and two-photon spectrally tuned channelrhodopsin mutants.

Sneskov K, Olsen JM, Schwabe T, Hättig C, Christiansen O, Kongsted J. Sneskov K, et al. Among authors: kongsted j. Phys Chem Chem Phys. 2013 May 28;15(20):7567-76. doi: 10.1039/c3cp44350g. Epub 2013 Apr 15. Phys Chem Chem Phys. 2013. PMID: 23588588 Free article.

9

The multi-configuration self-consistent field method within a polarizable embedded framework.

Hedegård ED, List NH, Jensen HJ, Kongsted J. Hedegård ED, et al. Among authors: kongsted j. J Chem Phys. 2013 Jul 28;139(4):044101. doi: 10.1063/1.4811835. J Chem Phys. 2013. PMID: 23901954

10

Association dynamics and linear and nonlinear optical properties of an N-acetylaladanamide probe in a POPC membrane.

Murugan NA, Apostolov R, Rinkevicius Z, Kongsted J, Lindahl E, Ågren H. Murugan NA, et al. Among authors: kongsted j. J Am Chem Soc. 2013 Sep 11;135(36):13590-7. doi: 10.1021/ja407326n. Epub 2013 Aug 29. J Am Chem Soc. 2013. PMID: 23951997

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