Sökning: "ligand"
Visar resultat 11 - 15 av 1323 avhandlingar innehållade ordet ligand.
11. Challenges in Computational Biochemistry: Solvation and Ligand Binding
Sammanfattning : Accurate calculations of free energies for molecular association and solvation are important for the understanding of biochemical processes, and are useful in many pharmaceutical applications. In this thesis, molecular dynamics (MD) simulations are used to calculate thermodynamic properties for solvation and ligand binding. LÄS MER
12. Galectin-3 Ligand Binding: Mechanism and Driving Forces
Sammanfattning : .... LÄS MER
13. 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
14. Free-energy studies of ligand-binding affinities
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
15. Assessment of Computational Methods for Ligand Binding
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