Sökning: "ligand screening"
Visar resultat 1 - 5 av 86 avhandlingar innehållade orden ligand screening.
1. Advances in Ligand Binding Predictions using Molecular Dynamics Simulations
Sammanfattning : Biochemical processes all involve associations and dissociations of chemical entities. Understanding these is of substantial importance for many modern pharmaceutical applications. In this thesis, longstanding problems with regard to ligand binding are treated with computational methods, applied to proteins of key pharmaceutical importance. LÄS MER
2. Dynamic Systems for Screening, Control and Identification of Protein-Ligand Interactions
Sammanfattning : Dynamic systems for screening, control and identification of different protein-ligand interactions are presented. Dynamic chemistry is used to produce new compounds/constituents in situ that can interact with a target molecule. Several entities can be introduced at the same time and interact with one another. LÄS MER
3. Studies of protein structure, dynamics and protein-ligand interactions using NMR spectroscopy
Sammanfattning : In the first part of the thesis, protein-ligand interactions were investigated using the chaperone LcrH, from Yersinia as target protein. The structure of a peptide encompassing the amphipathic domain (residue 278-300) of the protein YopD from Yersinia was determined by NMR in 40% TFE. LÄS MER
4. Multivariate design of molecular docking experiments : An investigation of protein-ligand interactions
Sammanfattning : To be able to make informed descicions regarding the research of new drug molecules (ligands), it is crucial to have access to information regarding the chemical interaction between the drug and its biological target (protein). Computer-based methods have a given role in drug research today and, by using methods such as molecular docking, it is possible to investigate the way in which ligands and proteins interact. LÄS MER
5. Electrospray Ionization Mass Spectrometry for Determination of Noncovalent Interactions in Drug Discovery
Sammanfattning : Noncovalent interactions are involved in many biological processes in which biomolecules bind specifically and reversibly to a partner. Often, proteins do not have a biological activity without the presence of a partner, a ligand. LÄS MER