Search for dissertations about: "theoretical modelling"

Showing result 11 - 15 of 445 swedish dissertations containing the words theoretical modelling.

  2. 11. Theoretical studies of protein-ligand binding

    Author : Majda Misini Ignjatovic; Beräkningskemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Protein-ligand binding; MD; GIST; GCMC; FEP; Solvation; Entropy; Water; QM MM-FEP; Protein-ligand binding; MD; GIST; GCMC; FEP; Solvation; Entropy; Water; QM MM-FEP;

    Abstract : Understanding how drugs work is of great importance, since it can facilitate drug discovery, both time- and costwise. At the same time, it is important to have methods that can help predict how well does a potential drug molecule bind to its target. Computational methods can in many ways contribute to drug design process. READ MORE

  4. 12. Exploring Protein Functions by Molecular Modelling

    Author : Guido Todde; Sven Hovmöller; Valerie Daggett; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; fysikalisk kemi; Physical Chemistry;

    Abstract : Proteins are one of the most important families of biological macromolecules. Proteins can assume many different structures. This makes them perfect to serve a wide range of functions in all organisms. In the last decades, molecular modeling has become an important and powerful tool in the investigation of biological systems. READ MORE

  5. 13. Modelling the universe : methods in relativistic cosmology

    Author : Martin Goliath; N. R. Henriksen; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Theoretical Physics; teoretisk fysik;

    Abstract : .... READ MORE

  6. 14. Unveiling Mechanistic Details of Macromolecular Interactions: Structural Design and Molecular Modelling of DNA-Protein Systems in Their Active State

    Author : Anna Reymer; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; molecular modelling; intercalation; homologous recombination; DNA; ruthenium II polypyridyl compounds; human Rad51;

    Abstract : 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. READ MORE

  7. 15. Structural steel plasticity : experimental study and theoretical modelling

    Author : Jan Granlund; Luleå tekniska universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Steel Structures; Stålbyggnad;

    Abstract : Föreliggande avhandling behandlar konstitutiv modellering av konstruktionsstål i elastoplastiskt område. Ett koncept för tvåaxlig provning i huvudspänningsplanet har utvecklats vilket sedan har använts för att generera försöksdata för att formulera en konstitutiv modell för sambandet mellan spänningar och plastiska töjningar. READ MORE