Sökning: "NATURVETENSKAP Kemi Teoretisk kemi Bioinformatik"
Visar resultat 1 - 5 av 16 avhandlingar innehållade orden NATURVETENSKAP Kemi Teoretisk kemi Bioinformatik.
1. Computational Design of Molecular Motors and Excited-State Studies of Organic Chromophores
Sammanfattning : This thesis presents computational quantum chemical studies of molecular motors and excited electronic states of organic chromophores.The first and major part of the thesis is concerned with the design of light-driven rotary molecular motors. LÄS MER
2. Prediction, modeling, and refinement of protein structure
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
3. Unveiling Mechanistic Details of Macromolecular Interactions: Structural Design and Molecular Modelling of DNA-Protein Systems in Their Active State
Sammanfattning : Molecular structure is fundamental for understanding mechanisms of molecular interactions. This applies not least to understanding biological function: every biological cell, whether bacterial or human, is an immensely complex system of thousands of molecules that exist in constant motion and interaction with each other. LÄS MER
4. Modeling of voltage-gated ion channels
Sammanfattning : The recent determination of several crystal structures of voltage-gated ion channels has catalyzed computational efforts of studying these remarkable molecular machines that are able to conduct ions across biological membranes at extremely high rates without compromising the ion selectivity. Starting from the open crystal structures, we have studied the gating mechanism of these channels by molecular modeling techniques. LÄS MER
5. Modelling Biomolecular Interactions of Protein Solutions : Combining Theories and Experiments
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