Sökning: "Biochemistry with Emphasis on Theoretical Chemistry"

Visar resultat 1 - 5 av 8 avhandlingar innehållade orden Biochemistry with Emphasis on Theoretical Chemistry.

1. 1. Modeling of voltage-gated ion channels

   Författare :Pär Bjelkmar; Erik Lindahl; Toby W. Allen; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular modeling; Molecular dynamics; Voltage-gating; Ion channels; Protein structure prediction; Chemistry; Kemi; biokemi; inriktning teoretisk kemi; Biochemistry with Emphasis on Theoretical Chemistry;

   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

3. 2. Application of membrane protein topology prediction

   Författare :Aron Hennerdal; Arne Elofsson; Rita Casadio; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Biochemistry; Biokemi; biokemi; inriktning teoretisk kemi; Biochemistry with Emphasis on Theoretical Chemistry;

   Sammanfattning : Membrane proteins often have essential functions in the cell and many are important drug targets, yet only a small fraction of available protein structures are of membrane proteins. Experimental techniques for elucidating membrane protein structures have proven laborious and expensive, opening the field for comparatively inexpensive computational modeling. LÄS MER

4. 3. Data integration for robust network-based disease gene prediction

   Författare :Gabriel Östlund; Erik Sonnhammer; Christos Ouzounis; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; biokemi; inriktning teoretisk kemi; Biochemistry with Emphasis on Theoretical Chemistry;

   Sammanfattning : For many complex diseases the cause/mechanism can be tied not to a single gene and in order to cope with the complexity a systems wide approach is needed. By combining evidence indicative of functional association it is possible to infer networks of protein functional coupling. LÄS MER

5. 4. Ensemble methods for protein structure prediction

   Författare :Marcin J. Skwark; Arne Elofsson; Michael Tress; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; protein structure prediction; model quality assessment; contact prediction; homology modeling; ab-initio prediction; consensus prediction; structural bioinformatics; bioinformatics; protein structure; biokemi; inriktning teoretisk kemi; Biochemistry with Emphasis on Theoretical Chemistry;

   Sammanfattning : Proteins play an essential role in virtually all of life's processes. Their function is tightly coupled to the three-dimensional structure they adopt.Solving protein structures experimentally is a complicated, time- and resource-consuming endeavor. LÄS MER

7. 5. Inference of functional association networks and gene orthology

   Författare :Thomas Schmitt; Erik L. L. Sonnhammer; Søren Brunak; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; orthology; InParanoid; FunCoup; systems biology; biological networks; network inference; functional coupling; functional association; biokemi; inriktning teoretisk kemi; Biochemistry with Emphasis on Theoretical Chemistry;

   Sammanfattning : Most proteomics and genomics experiments are performed on a small set of well-studied model organisms and their results are generalized to other species. This is possible because all species are evolutionarily related. When transferring information across species, orthologs are the most likely candidates for functional equivalence. LÄS MER