Lorena A. Barba group
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Accepted: Biomolecular electrostatics solver using Python and GPUs
Submitted: 20 September, 2013. Accepted: 24 October, 2013. This paper presents a study of the effect of solvent-filled cavities and Stern layers in a biomolecular electrostatics solver based on a boundary integral formulation. The tool for this study was the PyGBe code: a solver for biomolecular electrostatics using Python, GPUs and boundary elements. To determine... Continue »
PyGBe: Python on the surface, GPUs at the heart. BEM solver for Electrostatics of Biomolecules
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Validation of the PyGBe code for Poisson-Boltzmann equation
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