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The low binding affinity of D-serine at the ionotropic glutamate receptor GluD2 can be attributed to the hinge region.
Sci Rep. 2017 Apr 7;7:46145. doi: 10.1038/srep46145.
Sci Rep. 2017.
PMID: 28387240
Free PMC article.
Both Reactivity and Accessibility Are Important in Cytochrome P450 Metabolism: A Combined DFT and MD Study of Fenamic Acids in BM3 Mutants.
Leth R, Ercig B, Olsen L, Jørgensen FS.
Leth R, et al.
J Chem Inf Model. 2019 Feb 25;59(2):743-753. doi: 10.1021/acs.jcim.8b00750. Epub 2019 Feb 13.
J Chem Inf Model. 2019.
PMID: 30758202
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Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.
Capoferri L, Leth R, ter Haar E, Mohanty AK, Grootenhuis PD, Vottero E, Commandeur JN, Vermeulen NP, Jørgensen FS, Olsen L, Geerke DP.
Capoferri L, et al. Among authors: leth r.
Proteins. 2016 Mar;84(3):383-96. doi: 10.1002/prot.24985. Epub 2016 Feb 3.
Proteins. 2016.
PMID: 26757175
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Density functional theory study on the formation of reactive benzoquinone imines by hydrogen abstraction.
Leth R, Rydberg P, Jørgensen FS, Olsen L.
Leth R, et al.
J Chem Inf Model. 2015 Mar 23;55(3):660-6. doi: 10.1021/ci500653b. Epub 2015 Feb 20.
J Chem Inf Model. 2015.
PMID: 25658971
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