Search for dissertations about: "protein-ligand complexes"

Showing result 1 - 5 of 16 swedish dissertations containing the words protein-ligand complexes.

  2. 1. Chemogenomics: Models of Protein-Ligand Interaction Space

    Author : Helena Strömbergsson; Gerard J Kleywegt; Jarl E S Wikberg; Torgeir R Hvidsten; John Overington; Uppsala universitet; []
    Keywords : ;

    Abstract : The large majority of the currently used drugs are small molecules that interact with proteins. Understanding protein-ligand recognition is thus central to drug discovery and design. Improved experimental techniques have resulted in an immense growth of drug target information. READ MORE

  4. 2. Computational Studies of Structures and Binding Properties of Protein-Ligand Complexes

    Author : Xu Wang; Yaoquan Tu; Lennart Nilsson; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

    Abstract : Proteins are dynamic structural entities that are involved in many biophysical processes through molecular interactions with their ligands. Protein-ligand interactions are of fundamental importance for computer-aided drug discovery. READ MORE

  5. 3. Structural and functional studies of proteins of medical relevance : Protein-ligand complexes in cancer and novel structural folds in bacteria

    Author : Robert Gustafsson; Pål Stenmark; Pavlína Řezáčová; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; X-ray crystallography; Cancer; MTH1; oxidised nucleotides; MTHFD2; nucleotide metabolism; one-carbon metabolism; Botulism; Botulinum neurotoxin; OrfX; OrfX gene cluster; Biochemistry; biokemi;

    Abstract : X-ray crystallography is a tool for determining the structures of proteins and protein-ligand complexes. In this thesis the method has been employed to study several proteins of medical relevance.Cancer is a terrible disease, severely impacting those affected, as well as their family and friends. READ MORE

  6. 4. Analysis of noncovalent and covalent protein-ligand complexes by electrospray ionisation mass spectrometry

    Author : Gustav Sundqvist; Harry Brumer; Per Andrén; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; noncovalent complex; droplet fission; nano-electrospray ionisation; mass spectrometry; Analytical chemistry; Analytisk kemi;

    Abstract : In this thesis, the application of electrospray ionisation mass spectrometry (ESI-MS) to the analysis of intact proteins is demonstrated. In papers I and II, the use of ESI-MS for the analysis of noncovalent protein-ligand complexes were discussed. READ MORE

  7. 5. Assessment of Computational Methods for Ligand Binding

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

    Abstract : 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. READ MORE