Sökning: "affinities"

Visar resultat 1 - 5 av 206 avhandlingar innehållade ordet affinities.

1. 1. Sounding Expanded Affinities : A Polytemporal Approach to Reconceptualizing Egalitarian Social Relations

   Författare :Andrea Ray; Konsthögskolan i Malmö; []
   Nyckelord :HUMANIORA; HUMANITIES; Sound art; Installation; Feminism; Polyamory; Free love; Expanded affinities; Queer theory; USA; Nineteenth century; Twenty-first century;

   Sammanfattning : My doctoral submission, Sounding Expanded Affinities, examines how strides toward gender equality might be made, but it postulates that this is too difficult while marriage remains at the core of our patriarchal value system. This patriarchal system is one which oppresses women by manipulating subjects into its preferred roles often in subtle, chronic ways, using repetition and pairing as its tools. LÄS MER

3. 2. On the estimation of ligand binding affinities

   Författare :Samuel Genheden; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; binding affinities protein-ligand complexes; host-guest complexes; MM GBSA; MM PBSA; LIE; PDLD s-LRA; alchemical methods; sampling; solvation; drug design;

   Sammanfattning : A method to accurately estimate the binding affinity of a small molecule to a receptor would be indispensable in numerous fields. For instance, most drugs exert their action by binding to a macromolecule target. Thus, a lot of time and resources could be saved in drug design by predicting affinities by computer programs. LÄS MER

4. 3. Neoproterozoic-Early Cambrian organic-walled microfossils : Ultrastructural and biogeochemical search for their affinities

   Författare :Nina M. Talyzina; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Earth sciences; Geovetenskap; Earth sciences; Geovetenskap; Historical Geology and Paleontology; historisk geologi och paleontologi;

   Sammanfattning : The Neoproterozoic-Cambrian transition is marked by conspicuous radiation of skeletal fauna comparable to modern invertebrates. Phylogenetic relationships of living organisms, based on their genetic and ultrastructural complexity, suggest that most prokaryotic and protistan organisms should have evolved by the time of origination of coelomate organisms. LÄS MER

5. 4. Free-energy studies of ligand-binding affinities

   Författare :Vilhelm Ekberg; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; free energy perturbation; drug design; ligand-binding affinity; entropy; molecular mechanics; molecular dynamics;

   Sammanfattning : In drug discovery, it is of utmost importance to accurately calculate the free energies of binding ligands to various protein targets, such as enzymes and receptors. We have assessed and used computational tools for this aim, most of them based on molecular dynamics (MD) simulations. LÄS MER

7. 5. Assessment of Computational Methods for Ligand Binding

   Författare :Paulius Mikulskis; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; binding affinities; MM GBSA; MM PBSA; LIE; FEP; TI; BAR; protein-ligand complexes; drug design;

   Sammanfattning : Most drugs act on biomacromolecules. The Cost of developing new drugs is very high. A method to accurately predict binding affinities would be very useful. LÄS MER