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Nanodiscs for INPHARMA NMR Characterization of GPCRs: Ligand Binding to the Human A2A Adenosine Receptor.
Angew Chem Int Ed Engl. 2017 May 15;56(21):5750-5754. doi: 10.1002/anie.201612547. Epub 2017 Apr 21.
Angew Chem Int Ed Engl. 2017.
PMID: 28429411
On-the-Fly Integration of Data from a Spin-Diffusion-Based NMR Experiment into Protein-Ligand Docking.
Onila I, ten Brink T, Fredriksson K, Codutti L, Mazur A, Griesinger C, Carlomagno T, Exner TE.
Onila I, et al.
J Chem Inf Model. 2015 Sep 28;55(9):1962-72. doi: 10.1021/acs.jcim.5b00235. Epub 2015 Aug 14.
J Chem Inf Model. 2015.
PMID: 26226383
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Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 3. Conformational Sampling and Explicit Solvents Model.
Exner TE, Frank A, Onila I, Möller HM.
Exner TE, et al. Among authors: onila i.
J Chem Theory Comput. 2012 Nov 13;8(11):4818-27. doi: 10.1021/ct300701m. Epub 2012 Oct 15.
J Chem Theory Comput. 2012.
PMID: 26605634
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Toward the quantum chemical calculation of nuclear magnetic resonance chemical shifts of proteins.
Frank A, Onila I, Möller HM, Exner TE.
Frank A, et al. Among authors: onila i.
Proteins. 2011 Jul;79(7):2189-202. doi: 10.1002/prot.23041. Epub 2011 May 9.
Proteins. 2011.
PMID: 21557322
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