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Showing 1 to 4 of 4 for “"molecular surface area"”.
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Computer simulation of titration behavior in proteins
… techniques, results of contact mapping and molecular surface area and volume calculations aid in the understanding of the differing properties of these systems. Several modeled mutant structures of each antibody and lysozyme are also examined. Each of these is predicted to associate less …
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Reactive uptake of O₃ and N₂O₅ on organic mixtures and inorganic solutions coated with organic monolayers
… functional groups, solubilities, chain lengths, surface pressures, and molecular surface areas. Reactive uptake of N₂0₅ on aqueous sulfuric acid solutions was found to correlate most strongly with the molecular surface area or packing density of the monolayer. These results provide a good …
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Measurement of forces between and within bilayers of neutral phospholipids
… made up of alternating layers of water and bimolecular lipid leaflets. Three complementary methods, osmotic, mechanical, and vapour pressures, were used to measure the work of removing water from lamellar phases composed of frozen dipalmitoylphosphatidylcholine ( DPPC ), melted DPPC, egg …
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Delaunay-Laguerre Geometry For Macromolecular Modeling And Implicit Solvation
… and implement algorithms for the calculation of molecular volume, atomic solvent accessible surface areas, their gradients and discontinuities. This is used for a detailed analysis of parameters obtained by the implicit solvation method, Semi-Explicit Assembly (SEA). We introduce the concept of …