Sökning: "Teoretisk kemi och biologi"

Visar resultat 1 - 5 av 94 avhandlingar innehållade orden Teoretisk kemi och biologi.

1. 1. Modelling Biomolecular Interactions of Protein Solutions : Combining Theories and Experiments

   Författare :Marco Polimeni; Teoretisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; NATURAL SCIENCES; Molecular modelling; Protein Solutions; Bio-inorganic Interfaces; Coarse-Grained Models; All-Atom Models; MC simulations; MD simulations; Light Scattering LS ; Small-angle X-ray scattering SAXS ;

   Sammanfattning : Nowadays, interactions of proteins in salt solutions and at the interface with inorganic surfaces are widely investigated as their understanding has numerous applications in medical, pharmaceutical, and biotechnological industries. However, studying these interactions is a complex task that requires appropriate strategies. LÄS MER

3. 2. Prediction, modeling, and refinement of protein structure

   Författare :Per Larsson; Arne Elofsson; Erik Lindahl; Barry Honig; Stockholms universitet; []
   Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; NATURAL SCIENCES; Protein structure prediction; Multiple alignments; Quality assessment; Molecular dynamics; Implicit solvent; Refinement; Bioinformatics; Bioinformatik; Bioinformatics; Bioinformatik; Statistical mechanics; Statistisk mekanik; Biochemistry; biokemi;

   Sammanfattning : Accurate predictions of protein structure are important for understanding many processes in cells. The interactions that govern protein folding and structure are complex, and still far from completely understood. However, progress is being made in many areas. Here, efforts to improve the overall quality of protein structure models are described. LÄS MER

4. 3. Two aspects of simulating disorder

   Författare :Stephanie Jephthah; Teoretisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES;

   Sammanfattning : Histatin 5, an intrinsically disordered protein (IDP) found in the saliva, has been investigated in two studies, and in two different perspectives. In the first study, the structural properties of a conjugated histatin 5 fragment is characterized in an effort to explain its enhanced fungicidal properties. LÄS MER

5. 4. Quantum Nuclear Dynamics in Resonant X-ray Scattering of Gas-Phase and Liquid Systems

   Författare :Vinicius Vaz da Cruz; Victor Kimberg; Faris Gel'mukhanov; Hans Ågren; Philippe Wernet; KTH; []
   Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; resonant inelastic X-ray scattering; X-ray absorption; water; methanol; CO; rotational doppler effect; recoil; wave packet; non-Franck-Condon effect; ultra-fast molecular dissociation; potential energy surface; hydrogen bond; liquid; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

   Sammanfattning : This thesis focuses on the role of the nuclear degrees of freedom in X-ray induced molecular processes. An important part of it is devoted to establishing theoretical principles to model and interpret high-resolution resonant X-ray scattering experiments in gases and liquids. LÄS MER

7. 5. α-Synuclein Fibril Formation and the Effects of Lipid Membranes

   Författare :Ricardo Gaspar; Fysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; Protein misfolding; alpha-synuclein; Parkinson s disease; microscopic rate constants; Thioflavin T; ganglioside lipids; Exosomes; protein-lipid co-aggregation; model membranes; monomer-dependent secondary nucleation;

   Sammanfattning : Amyloid protein aggregation results in major disturbances of cellular processes in humans. The most common amyloid-related disorders are Alzheimer´s disease and Parkinson´s disease. Parkinson´s disease is charaterized by the formation of protein-rich aggregates that are deposited in neurons, termed Lewy bodies and Lewy neurites. LÄS MER