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physics.chem-ph2021
Binding Group of Oligonucleotides on TiO 2 Surfaces: Phosphate Anions or Nucleobases?
Federico A. Soria, Cristiana Di Valentin
Although the immobilization of oligonucleotides (nucleic acid) on mineral surfaces is at the basis of different biotechnological applications, an atomistic understanding of the int…
physics.chem-ph2019
Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard-Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles
Asmus Ougaard Doh, Daniele Selli, Gianluca Fazio +4
Metal oxide nanoparticles (NPs) are regarded as good candidates for many technological applications, where their functional environment is often an aqueous solution. The correct de…