Sökning: "conformational entropy"

Visar resultat 1 - 5 av 18 avhandlingar innehållade orden conformational entropy.

1. 1. Molecular recognition and dynamics in proteins studied by NMR

   Författare :Johan Wallerstein; Biofysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Chemical exchange; Conformational entropy; Entropy; Galectin-3; Isothermal Titration Calorimetry; ITC; Model-free formalism; Molecular recognition; Nuclear Magnetic Resonance; NMR; PGB1; Protein dynamics; Protein–ligand interactions; Proton-transfer reactions; Spin relaxation; Viscosity; Chemical exchange; Conformational entropy; Entropy; Galectin-3; Isothermal Titration Calorimetry; ITC; Model-free formalism; Molecular recognition; Nuclear Magnetic Resonance; NMR; PGB1; Protein dynamics; Protein–ligand interactions; Proton-transfer reactions; Spin relaxation; Viscosity;

   Sammanfattning : Knowledge of dynamics in protein is very important in the description of protein function and molecular recognition. The thesis investigates protein dynamics on time-scales from milli- to sub-nanosecond, with focus on the latter, using NMR spin relaxation experiments on two proteins, the 138-residue carbohydrate recognition domain of galectin-3 (Gal3C) and the 56-residue B1 domain of bacterial protein G (PGB1). LÄS MER

3. 2. Galectin-3 Ligand Binding: Mechanism and Driving Forces

   Författare :Olof Stenström; Biofysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Dynamics; NMR; ITC; Relaxation dispersion; NMR relaxation; Ligand binding; Thermodynamic; Galectin-3; Entropy; Binding Mechanism; Induced fit; Conformational selection;

   Sammanfattning : .... LÄS MER

4. 3. Conformational Entropy and Protein Flexibility in Drug Design Studied by NMR Spectroscopy

   Författare :Carl Diehl; Biofysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; MMP-12; Galectin-3; confomational entropy; order parameters; ITC; Protein dynamics; isothermal titration calorimetry; macrophage elastase; nuclear magnetic resonance; NMR;

   Sammanfattning : Proteins are complex molecules, present in all of the vital functions of life. The function of a protein is regulated by interactions between protein and other molecules. Drug design in pharmaceutical science aims to regulate the function of a protein by the design of synthesized molecules that binds to a protein with high affinity. LÄS MER

5. 4. Theoretical studies of protein-ligand binding

   Författare :Majda Misini Ignjatovic; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Protein-ligand binding; MD; GIST; GCMC; FEP; Solvation; Entropy; Water; QM MM-FEP; Protein-ligand binding; MD; GIST; GCMC; FEP; Solvation; Entropy; Water; QM MM-FEP;

   Sammanfattning : Understanding how drugs work is of great importance, since it can facilitate drug discovery, both time- and costwise. At the same time, it is important to have methods that can help predict how well does a potential drug molecule bind to its target. Computational methods can in many ways contribute to drug design process. LÄS MER

7. 5. Design, Synthesis and Thermodynamic Studies of Galectin Ligands

   Författare :Maria Luisa Verteramo; Centrum för analys och syntes; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; galectin; conformational entropy; solvation; thermodynamic; interaction; molecular recognition; thiodigalactoside; diastereomer; structure-based design;

   Sammanfattning : The signaling within and between cells in biology is governed by molecular recognition between natural or synthetic ligands and proteins. This thesis project aimed to investigate the thermodynamic properties of specific interaction between synthetic ligands and galectin proteins. LÄS MER