Grouleff J - Search Results

1

A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state.

Malinauskaite L, Said S, Sahin C, Grouleff J, Shahsavar A, Bjerregaard H, Noer P, Severinsen K, Boesen T, Schiøtt B, Sinning S, Nissen P. Malinauskaite L, et al. Among authors: grouleff j. Nat Commun. 2016 May 25;7:11673. doi: 10.1038/ncomms11673. Nat Commun. 2016. PMID: 27221344 Free PMC article.

2

Properties of an inward-facing state of LeuT: conformational stability and substrate release.

Grouleff J, Søndergaard S, Koldsø H, Schiøtt B. Grouleff J, et al. Biophys J. 2015 Mar 24;108(6):1390-1399. doi: 10.1016/j.bpj.2015.02.010. Biophys J. 2015. PMID: 25809252 Free PMC article.

3

Unbiased simulations reveal the inward-facing conformation of the human serotonin transporter and Na(+) ion release.

Koldsø H, Noer P, Grouleff J, Autzen HE, Sinning S, Schiøtt B. Koldsø H, et al. Among authors: grouleff j. PLoS Comput Biol. 2011 Oct;7(10):e1002246. doi: 10.1371/journal.pcbi.1002246. Epub 2011 Oct 27. PLoS Comput Biol. 2011. PMID: 22046120 Free PMC article.

4

Ligand induced conformational changes of the human serotonin transporter revealed by molecular dynamics simulations.

Koldsø H, Autzen HE, Grouleff J, Schiøtt B. Koldsø H, et al. Among authors: grouleff j. PLoS One. 2013 Jun 12;8(6):e63635. doi: 10.1371/journal.pone.0063635. Print 2013. PLoS One. 2013. PMID: 23776432 Free PMC article.

5

Ligand Binding in the Extracellular Vestibule of the Neurotransmitter Transporter Homologue LeuT.

Grouleff J, Koldsø H, Miao Y, Schiøtt B. Grouleff J, et al. ACS Chem Neurosci. 2017 Mar 15;8(3):619-628. doi: 10.1021/acschemneuro.6b00359. Epub 2016 Dec 14. ACS Chem Neurosci. 2017. PMID: 27966884

6

The influence of cholesterol on membrane protein structure, function, and dynamics studied by molecular dynamics simulations.

Grouleff J, Irudayam SJ, Skeby KK, Schiøtt B. Grouleff J, et al. Biochim Biophys Acta. 2015 Sep;1848(9):1783-95. doi: 10.1016/j.bbamem.2015.03.029. Epub 2015 Apr 1. Biochim Biophys Acta. 2015. PMID: 25839353 Free article. Review.

7

Insights to ligand binding to the monoamine transporters-from homology modeling to LeuBAT and dDAT.

Koldsø H, Grouleff J, Schiøtt B. Koldsø H, et al. Among authors: grouleff j. Front Pharmacol. 2015 Sep 24;6:208. doi: 10.3389/fphar.2015.00208. eCollection 2015. Front Pharmacol. 2015. PMID: 26441663 Free PMC article. Review.

8

Interrogating the Molecular Basis for Substrate Recognition in Serotonin and Dopamine Transporters with High-Affinity Substrate-Based Bivalent Ligands.

Andersen J, Ladefoged LK, Kristensen TN, Munro L, Grouleff J, Stuhr-Hansen N, Kristensen AS, Schiøtt B, Strømgaard K. Andersen J, et al. Among authors: grouleff j. ACS Chem Neurosci. 2016 Oct 19;7(10):1406-1417. doi: 10.1021/acschemneuro.6b00164. Epub 2016 Aug 10. ACS Chem Neurosci. 2016. PMID: 27425420

9

Monoamine transporters: insights from molecular dynamics simulations.

Grouleff J, Ladefoged LK, Koldsø H, Schiøtt B. Grouleff J, et al. Front Pharmacol. 2015 Oct 16;6:235. doi: 10.3389/fphar.2015.00235. eCollection 2015. Front Pharmacol. 2015. PMID: 26528185 Free PMC article. Review.

10

Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins.

Andersen OJ, Grouleff J, Needham P, Walker RC, Jensen F. Andersen OJ, et al. Among authors: grouleff j. J Phys Chem B. 2015 Nov 19;119(46):14594-603. doi: 10.1021/acs.jpcb.5b07816. Epub 2015 Nov 4. J Phys Chem B. 2015. PMID: 26482713

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