Search for dissertations about: "de novo Design"

Showing result 1 - 5 of 29 swedish dissertations containing the words de novo Design.

  2. 1. De Novo Design and Characterization of Surface Binding Peptides - Steps toward Functional Surfaces

    Author : Patrik Nygren; Bengt-Harald Jonsson; Klas Broo; Linda Andersson; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Peptide; design; nanoparticle; CD; Amino acid; Organic chemistry; Organisk kemi;

    Abstract : The ability to create surfaces with well-defined chemical properties is a major research field. One possibility to do this is to design peptides that bind with a specific secondary structure to silica nanoparticles. READ MORE

  4. 2. Non-Steroidal Anti-Inflammatory Drugs in Cyclooxygenases 1 and 2 : Binding modes and mechanisms from computational methods and free energy calculations

    Author : Yasmin Shamsudin Khan; Johan Åqvist; Hugo Gutiérrez de Terán; Xavier Barril; Uppsala universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; molecular dynamics simulations; binding free energy; molecular docking; cyclooxygenase; non-steroidal anti-inflammatory drugs; free energy perturbation; potentials of mean force;

    Abstract : Non-steroidal anti-inflammatory drugs (NSAIDs) are one of the most commonly used classes of drugs. They target the cyclooxygenases (COX) 1 and 2 to reduce the physiological responses of pain, fever, and inflammation. Due to their role in inducing angiogenesis, COX proteins have also been identified as targets in cancer therapies. READ MORE

  5. 3. Sequential Decision-Making for Drug Design: Towards closed-loop drug design

    Author : Hampus Gummesson Svensson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; de novo drug design; multi-armed bandits; active learning; reinforcement learning; reaction yield prediction;

    Abstract : Drug design is a process of trial and error to design molecules with a desired response toward a biological target, with the ultimate goal of finding a new medication. It is estimated to be up to 10^{60} molecules that are of potential interest as drugs, making it a difficult problem to find suitable molecules. READ MORE

  6. 4. Using de novo design proteins to explore tyrosine radicals and cation-π interactions

    Author : Bruce W. Berry; Cecilia Tommos; Anders Hofer; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; tyrosine; radicals; cation-pi interactions; de novo designed proteins; biochemistry; biophysics; Biochemistry; biokemi;

    Abstract : Redox cofactors and amino-acid free radicals play important roles in biology. Although many of the same cofactors and amino acids that form these radicals are found across a broad range of biological systems, identical cofactors can have different reduction potentials. The local environment plays a role in defining these redox potentials. READ MORE

  7. 5. Structural and Functional Studies of De Novo Designed Peptides at Surfaces

    Author : Patrik Nygren; Bo Liedberg; Thomas Ederth; Martin Malmsten; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Biofouling; vesicles; nanoparticles; peptide; peptide design; circular dichroism; Physical chemistry; Fysikalisk kemi;

    Abstract : The work presented in this thesis deals with the structural and functional properties of peptides at surfaces. The interaction of peptides with surfaces is an ever so common occurrence in our every day life, from the bug squashed on the windshield of our car to the barnacle on our boat, and from the blood plasma used in the hospital to the proteins in our cells. READ MORE