Browsing by Author "Nekardová, Michaela"
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Computational Studies of Interactions of Small Molecules with their Biological Targets
Defence status: DEFENDEDNekardová, Michaela (Univerzita Karlova, Matematicko-fyzikální fakulta, 2020)Date of defense: 11. 3. 2020The thesis specializes in the computational description of pharmaceutically important compounds. A substantial number of pharmaceutical drugs are small molecules that are bound to an active site of an enzyme by the "lock ...