A5058888357- Lipid Membrane Structure and Behavior
- Surfactants and Colloidal Systems
- Advanced Polymer Synthesis and Characterization
- Nanoparticle-Based Drug Delivery
- Connexins and lens biology
- Electrostatics and Colloid Interactions
- RNA Interference and Gene Delivery
- Protein Structure and Dynamics
- Polymer Surface Interaction Studies
- Neuroscience and Neuropharmacology Research
- Luminescence and Fluorescent Materials
- Advanced Drug Delivery Systems
- Pickering emulsions and particle stabilization
- Hydrogels: synthesis, properties, applications
- Block Copolymer Self-Assembly
- Hemoglobin structure and function
- Nicotinic Acetylcholine Receptors Study
- Molecular Junctions and Nanostructures
- Hearing, Cochlea, Tinnitus, Genetics
University of Buenos Aires
2017-2023
Consejo Nacional de Investigaciones Científicas y Técnicas
2015-2023
Instituto de Física de Buenos Aires
2023
Contextual Change (United States)
2020
Fundación Ciencias Exactas y Naturales
2017-2019
Instituto de Biotecnología y Biología Molecular
2015
This paper presents a new model for polymersomes developed using poly(ethylene oxide)-poly(butadiene) diblock copolymer bilayer. The is based on coarse-grained approach the MARTINI force field. Since no parameters exist poly(butadiene), we have refined these quantum mechanical calculations and molecular dynamics simulations. has been validated extensive simulations in systems with several hundred polymer units reaching up to 6 μs. These show that coarse grain self-assemble into bilayers NPT...
In this work, we present results of coarse-grained simulations to study the encapsulation prilocaine (PLC), both neutral and protonated, on copolymer bilayers through molecular dynamics simulations. Using a previously validated membrane model, have simulated loaded at different drug concentrations low (protonated PLC) high (neutral pH levels. We characterized key structural parameters in order understand effects PLC bilayer structure mechanical properties. Neutral was encapsulated...
In this work, we analyzed the behavior of Pluronic F127 through molecular dynamics simulations at coarse-grain level, focusing on micellar and lamellar phases. To aim, two initial polymer conformations were considered, S-shape U-shape, for both simulated Through simulations, able to examine structural mechanical properties that are difficult access experiments. Since no transition between S U shapes was observed in our inferred all single co-polymers had memory their configuration....
In this work we implement a new methodology to study structural and mechanical properties of systems having spherical planar symmetries throughout Molecular Dynamics simulations. This is applied here drug delivery system based in polymersomes, as an example. The chosen model was the local anesthetic prilocaine due previous parameterization within used coarse grain scheme. our approach, mass density profiles (MDPs) are obtain key parameters systems, pressure estimate curvature elastic...