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Fragment Binding to Kinase Hinge: If Charge Distribution and Local pKa Shifts Mislead Popular Bioisosterism Concepts.
Angew Chem Int Ed Engl. 2021 Jan 4;60(1):252-258. doi: 10.1002/anie.202011295. Epub 2020 Oct 29.
Angew Chem Int Ed Engl. 2021.
PMID: 33021032
Free PMC article.
Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Wienen-Schmidt B, Oebbeke M, Ngo K, Heine A, Klebe G.
Wienen-Schmidt B, et al. Among authors: oebbeke m.
ChemMedChem. 2021 Jan 8;16(1):292-300. doi: 10.1002/cmdc.202000565. Epub 2020 Oct 30.
ChemMedChem. 2021.
PMID: 33029876
Free PMC article.
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Phospholamban pentamerization increases sensitivity and dynamic range of cardiac relaxation.
Funk F, Kronenbitter A, Hackert K, Oebbeke M, Klebe G, Barth M, Koch D, Schmitt JP.
Funk F, et al. Among authors: oebbeke m.
Cardiovasc Res. 2023 Jul 4;119(7):1568-1582. doi: 10.1093/cvr/cvad037.
Cardiovasc Res. 2023.
PMID: 36869774
Free PMC article.
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