128 citations · 921 across the 32 of their papers we have counts for
4 papers · 1 filter
Poisson-Boltzmann model for protein-surface electrostatic interactions and grid-convergence study using the PyGBe code
Christopher D. Cooper, Lorena A. Barba
Interactions between surfaces and proteins occur in many vital processes and are crucial in biotechnology: the ability to control specific interactions is essential in fields like…
Inexact Krylov iterations and relaxation strategies with fast-multipole boundary element method
Tingyu Wang, Simon K. Layton, Lorena A. Barba
Boundary element methods produce dense linear systems that can be accelerated via multipole expansions. Solved with Krylov methods, this implies computing the matrix-vector product…
Probing protein orientation near charged nanosurfaces for simulation-assisted biosensor design
Christopher D. Cooper, Natalia C. Clementi, Lorena A. Barba
Protein-surface interactions are ubiquitous in biological processes and bioengineering, yet are not fully understood. In biosensors, a key factor determining the sensitivity and th…
Standing Together for Reproducibility in Large-Scale Computing: Report on reproducibility@XSEDE
Doug James, Nancy Wilkins-Diehr, Victoria Stodden +52
This is the final report on reproducibility@xsede, a one-day workshop held in conjunction with XSEDE14, the annual conference of the Extreme Science and Engineering Discovery Envir…