BECAS
CATHCARTH Marilina
congresos y reuniones científicas
Título:
Parametrization of nonspecific interactions for protein adsorption on SiO2 surface by MD simulations
Autor/es:
TÁRRAGA, WILSON A.; CATHCARTH, MARILINA; PICCO, AGUSTIN S.; LONGO, GABRIEL S.
Lugar:
Virtual
Reunión:
Conferencia; LatinXChem23; 2023
Institución organizadora:
LatinXChem
Resumen:
The implementation of theoretical methods to study the protein adsorption on SiO2 surfaces has gained relevance for its high predictive potential.Incorporating nonspecific interactions remains a challenge.We parameterized these interactions for all amino acids on a SiO2 surface using molecular dynamics (MD) simulations.The energy interactions obtained were employed in a related work to study the adsorption of negatively charged proteins onto SiO2 surface through molecular theory simulations.
