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Journal of Chemical Theory and Computation|November 19, 2015
GPU Accelerated Implementation of Density Functional Theory for Hybrid QM/MM SimulationsMatías A Nitsche, Manuel Ferreria, Esteban E Mocskos, et al.
The Journal of Chemical Physics|June 10, 2018
Mechanical properties of drug loaded diblock copolymer bilayers: A molecular dynamics studyDamián A Grillo, Juan M R Albano, Esteban E Mocskos, et al.
The Journal of Chemical Physics|July 3, 2017
Diblock copolymer bilayers as model for polymersomes: A coarse grain approachDamián A Grillo, Juan M R Albano, Esteban E Mocskos, et al.
The Journal of Chemical Physics|November 6, 2023
Molecular dynamics study of the mechanical properties of drug loaded model systems: A comparison of a polymersome with a bilayerDamián A Grillo, Juan M R Albano, Rufino E Valladares T, et al.
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