CS

Martin Lepšík

mail martin.lepsikinvalid-email-name@invalid-email-domainuochb.cas.cz
phone +420 220 183 541
High Performance Computing
Hector Martinez-Seara Group
All publications

Latest publications

4-Oxo-β-lactams as Covalent Inhibitors of the Mitochondrial Intramembrane Protease PARL
S. Ji K. Bach V. Miriyala J. Dohnálek M. Riopedre Fernández M. Lepšík M. van de Plassche R. Vanhoutte M. Barniol-Xicota R. Moreira K. Stříšovský S. H. L. Verhelst
ACS Medicinal Chemistry Letters 15 (12): 2101–2106 (2024)
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Extensive targeting of chemical space at the prime side of ketoamide inhibitors of rhomboid proteases by branched substituents empowers their selectivity and potency
K. Bach J. Dohnálek J. Škerlová J. Kuzmík E. Poláchová S. Stanchev P. Majer J. Fanfrlík A. Pecina J. Řezáč M. Lepšík V. Borshchevskiy V. Polovinkin K. Stříšovský
European Journal of Medicinal Chemistry 275: 116606 (2024)
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SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein–ligand binding affinity predictions in minutes
A. Pecina J. Fanfrlík M. Lepšík J. Řezáč
Nature Communications 15: 1127 (2024)
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Structural insights into the interaction between adenovirus C5 hexon and human lactoferrin
A. Dhillon B. D. Persson A. N. Volkov H. Sülzen A. Kádek P. Pompach S. Kereϊche M. Lepšík K. Danskog C. Uetrecht N. Arnberg S. Zoll
Journal of Virology 98 (3): e01576–23 (2024)
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