Sökning: "Nino Russo"

Hittade 2 avhandlingar innehållade orden Nino Russo.

1. 1. Quantum Chemical Modeling of Enzymatic Methyl Transfer Reactions

   Författare :Polina Georgieva; Fahmi Himo; Nino Russo; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; reaction mechanism; Theoretical chemistry; Teoretisk kemi;

   Sammanfattning : In this thesis, quantum chemistry, in particular the B3LYP density functional method, is used to investigate a number of methyl transfer enzymes. Quantum chemical methodology is today a very important tool in the elucidation of properties and reaction mechanisms of enzyme active sites. LÄS MER

3. 2. Computational studies of photodynamic drugs, phototoxic reactions and drug design

   Författare :Klefah Abrahem Klefah Musa; Leif Eriksson; Nino Russo; Örebro universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NSAIDs; fluoroquinolone; photodegradation; phototoxicity; drug design; DFT; TD-DFT; Biophysical chemistry; Biofysikalisk kemi; Chemistry; Kemi;

   Sammanfattning : The most important criterion when designing new drugs or improving old ones in order to prevent side effects or at least diminish them is drug safety. Treatment of all diseases generally needs use of either topical application or systemic medications (transported in the blood) during a certain period of time. LÄS MER