Sökning: "Free energy of binding"

Visar resultat 1 - 5 av 14 uppsatser innehållade orden Free energy of binding.

  1. 1. The Binding Mechanism of Carbapenems in the Class A beta-lactamase IMI-1 : A Molecular Dynamics Study of Ligand Stability

    Uppsats för yrkesexamina på avancerad nivå, Uppsala universitet/Biokemi

    Författare :Isabell Lindahl; [2022]
    Nyckelord :antibiotic resistance; IMI-1; betalactamase; Carbapenemase; free energy; LIE; linear interaction energy; β-lactamase; meropenem; biapenem; imipenem; active site;

    Sammanfattning : Antibiotic resistance is a global and accelerating matter. Over time, the bacteria have evolved several defense mechanisms against the antibiotics. One of the defense mechanisms is that the bacteria can produce enzymes with the ability to hydrolyze the characteristic b-lactam ring of the antibiotics. These enzymes are called b-lactamases. LÄS MER

  3. 2. Quantum chemical studies of the reactivity of gold nanoparticles towards molecular radicals

    Master-uppsats, KTH/Kemi

    Författare :Sofia Larsson; [2022]
    Nyckelord :gold nanoparticles; surface electrostatic potential; average local ionization energy; electron attachment energy; free molecular radicals; guldnanopartiklar; elektrostatisk ytpotential; genomsnittlig lokal joniseringsenergi; fria molekylära radikaler;

    Sammanfattning : Kvantkemiska studier av reaktiviteten hos guldnanopartiklar Au3-Au11 och Au13 mot O- centrerade molekylradikaler OH , OOH , OCH3   och H2O undersöks. Olika molekylära ytegenskaper tas med i beräkningen, elektrostatiska ytpotentialen, den genomsnittliga lokala joniseringsenergin, electron attachment energy och spinndensiteten (VS(r), IS(r), TS(r), ES(r) och S(r)). LÄS MER

  4. 3. Structure-based design of novel pharmacological tools for the A3 adenosine G protein-coupled receptor

    Master-uppsats, Uppsala universitet/Institutionen för läkemedelskemi

    Författare :Ashish Tamhankar; [2021]
    Nyckelord :;

    Sammanfattning : Adenosine receptors (ARs) are a family belonging to the GPCR superfamily, involved with multiple physiological processes and widely distributed throughout the body. In this study, we focus on the A3 AR due to its vast scale applications in various pathophysiological conditions such as inflammation, pain, allergic asthma, and cancer chemotherapy. LÄS MER

  5. 4. Power investment outlook for Chile to 2040

    Master-uppsats, KTH/Energi och klimatstudier, ECS

    Författare :Brendan Abadie; [2020]
    Nyckelord :;

    Sammanfattning : This study aims to build a medium-term (2019-2040) model for the Chilean electricity generation system in the OSeMOSYS software, a linear cost optimisation model, in light of the most recent developments in government policy and targets. In 2019, the Chilean government committed to decommissioning all coal plants by 2040 at the latest, and set out a non-binding target to be carbon neutral by 2050. LÄS MER

  7. 5. Artificial photosynthesis - 4-Aminobenzoic acids effect on charge transfer in a photo catalytic system

    Kandidat-uppsats, Uppsala universitet/Materialteori

    Författare :Simon Moberg; [2019]
    Nyckelord :artificial photosynthesis; aminobenzoic acid; charge transfer; plasmon; induced; plasmon induced; nanostructure; nanostructures; solar energy; nano particles; nano particle; artificiell fotosyntes; aminobensoesyra; laddningsöverföring; plasmon; inducerad; plasmoninducerad; nanostruktur; nanostrukturer; solenergi; nanopartiklar; nanopartikel;

    Sammanfattning : Artificial photosynthesis is used to harvest solar energy and store it in the form of chemical bonds. The system of interest in this study does this by splitting water into hydrogen and oxygen gas through a plasmon assisted process, collective oscillations from free electron gas. LÄS MER