Essays about: "ligand-protein binding."
Found 3 essays containing the words ligand-protein binding..
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1. Calculating Ligand-Protein Binding Energies from Molecular Dynamics Simulations
University essay from KTH/Skolan för kemivetenskap (CHE)Abstract : Indications that existing parameter sets of extended Linear Interaction Energy (LIE) models are transferable between lipases from Rhizomucor Miehei and Thermomyces Lanigunosus in complex with a small set of vinyl esters are demonstrated. By calculat- ing energy terms that represents the cost of forming cavities filled by the ligand and the complex we can add them to a LIE model with en established parameter set. READ MORE
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2. Examination of the role of binding site water molecules in molecular recognition
University essay fromAbstract : A set of algorithms were designed, implemented and evaluated in order to, first, identifyclusters of conserved waters in binding pockets, i.e. hydration sites. Then, their contributionto the free energy of binding in a ligand-protein association was quantified by calculatingtheir enthalpy and entropy. READ MORE
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3. Structure-function studies of biomass degrading enzymes : crystallization of EndoT from Hypocrea jecorina and Cel5H from Saccharophagus degradans, and enzyme hharacterization of Cel5H
University essay from SLU/Dept. of Molecular Biology (until 131231)Abstract : The purpose of this project was to investigate the structure-function relationship of two carbohydrate active enzymes, Endo-N-acetyl-β-(D)-glucosaminidase (EndoT) from Hypocrea jecorina and Cel5H from Saccharophagus degradans.The enzyme Endo-T from H. READ MORE