Multiscale Modeling of Bio-Nano Interactions of Zero-Valent Silver Nanoparticles
Julia Subbotina, Vladimir Lobaskin
Abstract
, adsorption affinities, and adsorption affinity ranking), which can characterize the relative hydrophobicity/hydrophilicity/lipophilicity of the nanosized silver and its ability to form bio(eco)corona, was evaluated for future use in nano-QSAR/QSPR studies.
Topics & Concepts
Quantitative structure–activity relationshipBiomoleculeNanomaterialsNanomedicineNanotechnologyNanocarriersNanoparticleSilver nanoparticleChemistryMaterials scienceMolecular dynamicsComputer scienceComputational chemistryMachine learningNanoparticles: synthesis and applicationsComputational Drug Discovery MethodsGold and Silver Nanoparticles Synthesis and Applications