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ABSTRACT:
SUBMITTER: Tavanti F
PROVIDER: S-EPMC6678212 | biostudies-literature | 2019 Jul
REPOSITORIES: biostudies-literature
Tavanti Francesco F Pedone Alfonso A Menziani Maria Cristina MC
International journal of molecular sciences 20190719 14
A multiscale molecular dynamics simulation study has been carried out in order to provide in-depth information on the adsorption of hemoglobin, myoglobin, and trypsin over citrate-capped AuNPs of 15 nm diameter. In particular, determinants for single proteins adsorption and simultaneous adsorption of the three types of proteins considered have been studied by Coarse-Grained and Meso-Scale molecular simulations, respectively. The results, discussed in the light of the controversial experimental d ...[more]