Hydration and Dynamics of Ligands Determine the Antifouling Capacity of Functionalized Surfaces
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DOI: 10.1021/acs.jpcc.9b08361
Abstract: Biofouling is a multibillion dollar problem in the modern world, stimulating a large research effort in developing antifouling surface coatings. Existing theories that attempt to explain underlying molecular mechanisms of biofilm formation and its attenuation… read more here.
Keywords: determine antifouling; chemistry; hydration dynamics; ligands determine ... See more keywords
Force-Field Simulations of a Hydrated Lanreotide-Based Derivative: Hydration, Dynamics, and Numerical Evidence of Self-Assembly in Dimers
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DOI: 10.1021/acsomega.0c03852
Abstract: Recently, self-organization of the cyclic octapeptide lanreotide and lanreotide-based derivatives in a nanotube to from a dimer structure has been experimentally evidenced. While the nature of the interactions between both monomers has been strongly investigated… read more here.
Keywords: lanreotide based; force field; self assembly; hydration ... See more keywords
Conformational Features and Hydration Dynamics of Proteins in Cosolvents: A Perspective from Computational Approaches
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DOI: 10.1021/acsomega.2c08009
Abstract: The importance of solvent in stabilizing protein structures has long been recognized. Water is the common solvent for proteins, and hydration is elemental in governing protein stability, flexibility, and function through various interactions. The addition… read more here.
Keywords: dynamics proteins; computational approaches; protein; hydration dynamics ... See more keywords
Hydration Dynamics of Model Peptides with Different Hydrophobic Character
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DOI: 10.3390/life12040572
Abstract: The multi-scale dynamics of aqueous solutions of the hydrophilic peptide N-acetyl-glycine-methylamide (NAGMA) have been investigated through extended frequency-range depolarized light scattering (EDLS), which enables the broad-band detection of collective polarizability anisotropy fluctuations. The results have… read more here.
Keywords: water; dynamics model; model peptides; hydration ... See more keywords