Search for dissertations about: "molecular design"

Showing result 1 - 5 of 779 swedish dissertations containing the words molecular design.

  2. 1. Towards the Rational Design of Molecularly Imprinted Polymers

    Author : Håkan S Andersson; Ann-Christin Koch-Schmidt; Ian A Nicholls; Klaus Mosbach; Richard F Venn; Tillämpad biokemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Thermodynamics; Molecular Recognition; Polyvalency; Cooperativity; Electrostatic Interactions; Hydrophobic Effect; Chromatography; Frontal Analysis; HPLC; Spectroscopy; Molecularly Imprinted Polymer; Molecular Imprinting; Crown Ether; Template Polymerisation; Cyclodextrin; Biochemistry; Metabolism; Biokemi; Biotechnology; Bioteknik; molecular recognition; host-guest chemistry; molecular imprinting; Biokemi; Biochemistry;

    Abstract : Molecular imprinting is a technique by which polymeric materials selective for a given target molecule can be created through a casting procedure. Functionalised monomers are added to a solution of molecular templates. READ MORE

  4. 2. Molecular Electronics : Insight from Ab-Initio Transport Simulations

    Author : Jariyanee Prasongkit; Rajeev Ahuja; Magnus Paulsson; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Molecular Electronics; Ab Initio; DNA Sequencing; Nanoscience; Graphene; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : This thesis presents the theoretical studies of electronic transport in molecular electronic devices. Such devices have been proposed and investigated as a promising new approach that complements conventional silicon-based electronics. READ MORE

  5. 3. Ligand binding and enzyme catalysis studied by molecular dynamics simulations

    Author : Tomas Hansson; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Molecular biology; molecular dynamics simulation; free energy; linear response; drug design; empirical valence bond; HIV protease; protein tyrosine phosphatase; Molekylärbiologi; Molecular biology; Molekylärbiologi; molekylärbiologi; Molecular Biology;

    Abstract : Molecular dynamics simulations and free energy calculations can be applied to biomolecular systems to predict ligand binding affinities. Combined with hybrid quantum-classical potential energy surfaces, such computations can also be used to probe enzymatic catalysis mechanisms. READ MORE

  6. 4. On the Nature and Origin of Recognition in Molecularly Imprinted Polymers. : Paths Towards Their Rational Design

    Author : Håkan S. Andersson; Ann-Christin Koch-Schmidt; Klaus Mosbach; Maria Kempe; Högskolan i Kalmar; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Molecular imprinting; molecular recognition; Biokemi; Biochemistry;

    Abstract : .... READ MORE

  7. 5. Multivariate design of molecular docking experiments : An investigation of protein-ligand interactions

    Author : David Andersson; Anna Linusson Jonsson; Gabriele Cruciani; Umeå universitet; []
    Keywords : MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; 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;

    Abstract : 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. READ MORE