Sökning: "ligand-binding cavity"

Visar resultat 1 - 5 av 8 avhandlingar innehållade orden ligand-binding cavity.

  1. 1. Assessment of Computational Methods for Ligand Binding

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

    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

  3. 2. Developmental role and ligand binding properties of macrophage scavenger receptor MARCO

    Författare :Yunying Chen; Karolinska Institutet; Karolinska Institutet; []
    Nyckelord :;

    Sammanfattning : Macrophages express several cell surface receptors, that mediate the recognition of a wide range of endogenous and exogenous ligands. In this manner, macrophages are able to perform their multiple biological functions in regulation of homeostasis and host defense. LÄS MER

  4. 3. Multivariate design of molecular docking experiments : An investigation of protein-ligand interactions

    Författare :David Andersson; Anna Linusson Jonsson; Gabriele Cruciani; Umeå universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Molecular docking; chemometrics; multivariate analysis; principal component analysis; PCA; design of experiments; DoE; partial least-square projections to latent structures; PLS; scoring functions; ligand-binding cavity; major histocompatibility complex; MHC; glycopeptide; T-cell.; Pharmaceutical chemistry; Läkemedelskemi; datorlingvistik; computational linguistics;

    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. 4. Structural aspects of binding and transport proteins : By Barnali Neel Chaudhuri

    Författare :Barnali Neel Chaudhuri; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular biology; Molekylärbiologi; Molecular biology; Molekylärbiologi; molekylärbiologi; Molecular Biology;

    Sammanfattning : Binding and transport proteins are essential for the transport of nutrients, vitamins, hormones, pheromones, etc. to their target destinations. Lipid-binding proteins typically contain an internal cavity where the hydrophobic/amphipathic ligands bind. Transport proteins with binding clefts for water-soluble sugars have different architectures. LÄS MER

  7. 5. Estrogen and aryl hydrocarbon receptor signaling

    Författare :Elin Swedenborg; Karolinska Institutet; Karolinska Institutet; []
    Nyckelord :;

    Sammanfattning : The biological effects of estrogens are mediated by the two estrogen receptor (ER) isoforms, ERa and ERb. The ERs are ligand-inducible transcription factors that belong to the nuclear receptor (NR) superfamily. Ligand-activated ERs bind to specific DNA elements in promoters of target genes, thereby inducing transcription. LÄS MER