Sökning: "Computational Biochemistry"

Visar resultat 1 - 5 av 90 avhandlingar innehållade orden Computational Biochemistry.

  1. 1. Computational Modeling of the Structure, Function and Dynamics of Biomolecular Systems

    Författare :Yashraj Kulkarni; Shina Kamerlin; Markus Meuwly; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular Dynamics; Empirical Valence Bond; Enzyme Catalysis; Amyloid Beta; Aβ; Triosephosphate Isomerase; TIM; Computational Biochemistry; Computational Enzymology; Biokemi; Biochemistry;

    Sammanfattning : Proteins are a structurally diverse and functionally versatile class of biomolecules. They perform a variety of life-sustaining biological processes with utmost efficiency. A profound understanding of protein function requires knowledge of its structure. LÄS MER

  3. 2. Computational Protein Evolution : Modeling the Selectivity and Promiscuity of Engineered Enzymes

    Författare :Klaudia Szeler; Shina C. Lynn Kamerlin; Mikael Widersten; Maria Ramos; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; enzymes; kinetics; catalysis; density functional theory; empirical valence bond; diesters; evolution; promiscuity; Biokemi; Biochemistry;

    Sammanfattning : Enzymes are biological catalysts that significantly increase the rate of all biochemical reactions that take place within cells and are essential to maintain life. Many questions regarding their function remain unknown. LÄS MER

  4. 3. Computational modelling of enzyme selectivity

    Författare :Paul Bauer; Shina Caroline Lynn Kamerlin; Mikael Widersten; Kenneth Ruud; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; enantiomer; epoxide hydrolase; chiral catalysis; empirical valence bond approach; method development; Biokemi; Biochemistry;

    Sammanfattning : Enantioselective reactions are one of the ways to produce pure chiral compounds. Understanding the basis of this selectivity makes it possible to guide enzyme design towards more efficient catalysts. LÄS MER

  5. 4. Selective inhibition of acetylcholinesterase 1 from disease-transmitting mosquitoes : design and development of new insecticides for vector control

    Författare :Cecilia Engdahl; Anna Linusson; Fredrik Ekström; Zoran Radić; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; acetylcholinesterase; non-covalent inhibitor; vector control; insecticide; mosquito; vector-borne disease; high throughput screening; rational design; biokemi; Biochemistry; datorlingvistik; computational linguistics;

    Sammanfattning : Acetylcholinesterase (AChE) is an essential enzyme with an evolutionary conserved function: to terminate nerve signaling by rapid hydrolysis of the neurotransmitter acetylcholine. AChE is an important target for insecticides. LÄS MER

  7. 5. Disarming bacteria : a structure-based approach to design an anti-virulence drug against Listeria monocytogenes

    Författare :Melanie Oelker; A. Elisabeth Sauer-Eriksson; Fredrik Almqvist; Karina Persson; Tiziano Tuccinardi; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; antibiotic resistances; anti-virulence drug; Listeria monocytogenes; virulence regulation; PrfA; structure-based drug design; ring-fused 2-pyridones; allosteric regulation; Biochemistry; biokemi; medicinal chemistry; läkemedelskemi; molekylär cellbiologi; molecular cell biology; medicinsk biokemi; Medical Biochemistry; molekylärbiologi; Molecular Biology;

    Sammanfattning : Antibiotic resistances are one of the biggest threats to global health and if we don’t change our behavior and way of using antibiotics we will end up in a ‘post-antibiotic era’, in which common infections and minor injuries can once kill again and up to 10 million deaths per year may occur by 2050. Therefore, there is a high need for new anti-bacterial drugs, especially of alternatives to existing antibiotics with already described resistances. LÄS MER