Browsing by Author "Gentile, Rocco"
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Item PlaF - Blocking Access of the Fatty Acid to T3 using in-silico Mutagenesis(AG Gohlke, 2023-03-17) Gentile, RoccoTo check how partial reshaping/closing of T3 can affect the binding of C10 FFA.Item PlaF - FLD Simulations to study FFA Binding in the Water Phase to t-PlaF(AG Gohlke, 2023-03-17) Gentile, RoccoTo build up and simulate systems that allow us to discriminate the effect of FFA on PlaF monomers when localised in the soluble fraction.Item PlaF - MM-PBSA Calculations of FFA-Binding to t-PlaF from the Water Phase(AG Gohlke, 2023-03-17) Gentile, RoccoComputation to characterize energetically FFA binding to T3.Item PlaF - PMFs and Free Energy Calculations of Dimer Dissociation(AG Gohlke, 2023-03-17) Gentile, RoccoPMF and Free Energy Calculation of Dimer Separation.Item PlaF - Simulated Extraction of Fatty Acid Throgh T3(AG Gohlke, 2023-03-17) Gentile, RoccoSimulation to build up and simulate the extraction of FFA from the bound state with t-PlaF back in the soluble fraction.Item PlaF - Unbiased MD and Density Maps of FFAs Binding to d-PlaF in The Membrane(AG Gohlke, 2023-03-17) Gentile, RoccoAn experiment for building up and simulating systems that allow us to discriminate the effect of FFA on PlaF dimer when localised in the membrane.Item PlaF - Unbiased MD Simulations of PlaF Monomers in the Presence of FFA(AG Gohlke, 2023-03-17) Gentile, RoccoTo build up and simulate systems that allow us to discriminate the effect of FFA on PlaF monomers when localised in the membrane.