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Structure-Activity Relationships of Hexahydrocyclopenta[c]quinoline Derivatives as Allosteric Inhibitors of CDK2 and EGFR.
Carlino L, Christodoulou MS, Restelli V, Caporuscio F, Foschi F, Semrau MS, Costanzi E, Tinivella A, Pinzi L, Lo Presti L, Battistutta R, Storici P, Broggini M, Passarella D, Rastelli G. Carlino L, et al. Among authors: semrau ms. ChemMedChem. 2018 Dec 20;13(24):2627-2634. doi: 10.1002/cmdc.201800687. Epub 2018 Nov 20. ChemMedChem. 2018. PMID: 30457710 Free article.
Known Drugs Identified by Structure-Based Virtual Screening Are Able to Bind Sigma-1 Receptor and Increase Growth of Huntington Disease Patient-Derived Cells.
Battista T, Pascarella G, Staid DS, Colotti G, Rosati J, Fiorillo A, Casamassa A, Vescovi AL, Giabbai B, Semrau MS, Fanelli S, Storici P, Squitieri F, Morea V, Ilari A. Battista T, et al. Among authors: semrau ms. Int J Mol Sci. 2021 Jan 28;22(3):1293. doi: 10.3390/ijms22031293. Int J Mol Sci. 2021. PMID: 33525510 Free PMC article.
Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Prosdocimi T, Mollica L, Donini S, Semrau MS, Lucarelli AP, Aiolfi E, Cavalli A, Storici P, Alfei S, Brullo C, Bruno O, Parisini E. Prosdocimi T, et al. Among authors: semrau ms. Biochemistry. 2018 May 15;57(19):2876-2888. doi: 10.1021/acs.biochem.8b00288. Epub 2018 May 1. Biochemistry. 2018. PMID: 29652483
Community-Wide Experimental Evaluation of the PROSS Stability-Design Method.
Peleg Y, Vincentelli R, Collins BM, Chen KE, Livingstone EK, Weeratunga S, Leneva N, Guo Q, Remans K, Perez K, Bjerga GEK, Larsen Ø, Vaněk O, Skořepa O, Jacquemin S, Poterszman A, Kjær S, Christodoulou E, Albeck S, Dym O, Ainbinder E, Unger T, Schuetz A, Matthes S, Bader M, de Marco A, Storici P, Semrau MS, Stolt-Bergner P, Aigner C, Suppmann S, Goldenzweig A, Fleishman SJ. Peleg Y, et al. Among authors: semrau ms. J Mol Biol. 2021 Jun 25;433(13):166964. doi: 10.1016/j.jmb.2021.166964. Epub 2021 Mar 27. J Mol Biol. 2021. PMID: 33781758 Free PMC article.
An anti-HER2 nanobody binds to its antigen HER2 via two independent paratopes.
Ubbiali D, Orlando M, Kovačič M, Iacobucci C, Semrau MS, Bajc G, Fortuna S, Ilc G, Medagli B, Oloketuyi S, Storici P, Sinz A, Grandori R, de Marco A. Ubbiali D, et al. Among authors: semrau ms. Int J Biol Macromol. 2021 Jul 1;182:502-511. doi: 10.1016/j.ijbiomac.2021.04.032. Epub 2021 Apr 14. Int J Biol Macromol. 2021. PMID: 33848543
A consensus protocol for the in silico optimisation of antibody fragments.
Soler MA , Medagli B , Semrau MS , Storici P , Bajc G , de Marco A , Laio A , Fortuna S . Soler MA , et al. Among authors: semrau ms. Chem Commun (Camb). 2019 Nov 19;55(93):14043-14046. doi: 10.1039/c9cc06182g. Chem Commun (Camb). 2019. PMID: 31690899 Free article.
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