Browsing by Subject "molecular modeling"
Now showing items 1-5 of 5
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Application of reductive amination by heterologously expressed Thermomicrobium roseum L-alanine dehydrogenase to synthesize L-alanine derivatives
(Elsevier Inc, 2023)Unnatural amino acids are unique building blocks in modern medicinal chemistry as they contain an amino and a carboxylic acid functional group, and a variable side chain. Synthesis of pure unnatural amino acids can be made ...
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Comparative molecular field analysis and molecular dynamics studies of the dopamine D2 receptor antagonists without a protonatable nitrogen atom
(Springer Nature, 2018)The dopaminergic hypothesis of schizophrenia is the main concept explaining the direct reasons of schizophrenia and the effectiveness of current antipsychotics. All antipsychotics present on the market are potent dopamine ...Tieteelliset aikakauslehtiartikkelit
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Effects of PCSK9 missense variants on molecular conformation and biological activity in transfected HEK293FT cells
(Elsevier B.V., 2022)PCSK9 gain-of-function (GOF) variants increase degradation of low-density lipoprotein receptor (LDLR) and are potentially associated with Familial Hypercholesterolemia (FH). This study aimed to explore the effects of PCSK9 ...
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Synthesis, Structural and Thermal Studies of 3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-ethoxy-1H-indole (D2AAK1_3) as Dopamine D2 Receptor Ligand
(MDPI AG, 2018)Compound D2AAK1_3 was designed as a modification of the lead structure D2AAK1 (an in vivo active multi-target compound with nanomolar affinity to a number of aminergic GPCRs) and synthesized in the reaction of 5-ethoxyindole ...Tieteelliset aikakauslehtiartikkelit
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Uusien SurA-inhibiittoreiden kehittäminen käyttäen lähtökohtana ultralaajan virtuaaliseulontakokeen tuloksia
(Itä-Suomen yliopisto; University of Eastern Finland, 2022)info:eu-repo/semantics/masterThesis