Search for dissertations about: "ligand space"

Showing result 1 - 5 of 21 swedish dissertations containing the words ligand space.

  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. 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

  5. 3. Development of Proteochemometrics—A New Approach for Analysis of Protein-Ligand Interactions

    Author : Maris Lapins; Jarl Wikberg; Johan Gottfries; Uppsala universitet; []
    Keywords : Pharmaceutical pharmacology; chemometrics; QSAR; G-protein coupled receptors; Melanocortin receptors; protein-ligand interactions; Farmaceutisk farmakologi;

    Abstract : A new approach to analysis of protein-ligand interactions, termed proteochemometrics, has been developed. Contrary to traditional quantitative structure-activity relationship (QSAR) methods that aim to correlate a description of ligands to their interactions with one particular target protein, proteochemometrics considers many targets simultaneously. READ MORE

  6. 4. Modulators of Saccharomyces cerevisiae cytochrome c oxidase : Implications for the regulation of mitochondrial respiration

    Author : Camilla Rydström Lundin; Peter Brzezinski; Christoph von Ballmoos; Shelagh Ferguson-Miller; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; cytochrome c oxidase; cytochrome c; OXPHOS; membrane protein; kinetics; ligand-binding; electron transfer; Rcf1; respiratory supercomplexes; Saccharomyces cerevisiae; Biochemistry; biokemi;

    Abstract : Oxidative phosphorylation in mitochondria is performed by enzyme complexes and electron carriers that reside in the inner membrane. It is now generally accepted that these respiratory enzyme complexes assemble into larger so-called supercomplexes. However, it is presently not known why, under which conditions or how these supercomplexes form. READ MORE

  7. 5. 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