| A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers CD Cooper, JP Bardhan, LA Barba Computer physics communications 185 (3), 720-729, 2014 | 52 | 2014 |
| Free Energies of the Disassembly of Viral Capsids from a Multiscale Molecular Simulation Approach M Martínez, CD Cooper, AB Poma, HV Guzman Journal of Chemical Information and Modeling 60 (2), 974-981, 2019 | 26 | 2019 |
| Probing protein orientation near charged nanosurfaces for simulation-assisted biosensor design CD Cooper, NC Clementi, LA Barba The Journal of Chemical Physics 143 (12), 2015 | 16 | 2015 |
| Extending the Solvation-Layer Interface Condition Continum Electrostatic Model to a Linearized Poisson-Boltzmann Solvent AM Tabrizi, S Goossens, AM Rahimi, CD Cooper, MG Knepley, ... Journal of chemical theory and computation, 2897-2914, 2017 | 13 | 2017 |
| PyGBe: Python, GPUs and Boundary elements for biomolecular electrostatics. CD Cooper, NC Clementi, G Forsyth, LA Barba J. Open Source Softw. 1 (4), 43, 2016 | 12 | 2016 |
| Poisson–Boltzmann model for protein–surface electrostatic interactions and grid-convergence study using the PyGBe code CD Cooper, LA Barba Computer Physics Communications 202, 23-32, 2016 | 12 | 2016 |
| Validation of the PyGBe code for Poisson-Boltzmann equation with boundary element methods CD Cooper, LA Barba Technical Report on figshare, CC-BY license, 2013 | 10 | 2013 |
| Panel-free boundary conditions for viscous vortex methods C Cooper, L Barba 19th AIAA Computational Fluid Dynamics, 3546, 2009 | 9 | 2009 |
| Towards optimal boundary integral formulations of the Poisson–Boltzmann equation for molecular electrostatics SD Search, CD Cooper, E Van't Wout Journal of Computational Chemistry 43 (10), 674-691, 2022 | 6 | 2022 |
| Quantitative electrostatic force tomography for virus capsids in interaction with an approaching nanoscale probe CD Cooper, I Addison-Smith, HV Guzman Nanoscale 14 (34), 12232-12237, 2022 | 6 | 2022 |
| High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm T Wang, CD Cooper, T Betcke, LA Barba arXiv preprint arXiv:2103.01048, 2021 | 6 | 2021 |
| Computational nanoplasmonics in the quasistatic limit for biosensing applications NC Clementi, CD Cooper, LA Barba Physical Review E 100 (6), 063305, 2019 | 6 | 2019 |
| A Boundary‐Integral Approach for the Poisson–Boltzmann Equation with Polarizable Force Fields CD Cooper Journal of computational chemistry 40 (18), 1680-1692, 2019 | 6 | 2019 |
| PyGBe-LSPR: Python and GPU Boundary-integral solver for electrostatics NC Clementi, G Forsyth, CD Cooper, LA Barba The Journal of Open Source Software 2 (19), 306, 2017 | 6 | 2017 |
| Predicting the orientation of adsorbed proteins steered with electric fields using a simple electrostatic model SA Urzúa, PY Sauceda-Oloño, CD García, CD Cooper The Journal of Physical Chemistry B 126 (28), 5231-5240, 2022 | 5 | 2022 |
| Modeling of the electrostatic interaction and catalytic activity of [NiFe] hydrogenases on a planar electrode MA Ruiz-Rodríguez, CD Cooper, W Rocchia, M Casalegno, ... The Journal of Physical Chemistry B 126 (43), 8777-8790, 2022 | 3 | 2022 |
| Efficient mesh refinement for the Poisson‐Boltzmann equation with boundary elements V Ramm, JH Chaudhry, CD Cooper Journal of Computational Chemistry 42 (12), 855-869, 2021 | 3 | 2021 |
| Accurate Boundary Integral Formulations for the Calculation of Electrostatic Forces with an Implicit-Solvent Model I Addison-Smith, HV Guzman, CD Cooper Journal of Chemical Theory and Computation 19 (10), 2996-3006, 2023 | 1 | 2023 |
| Quantifying the disassembly of viral capsids from a multiscale molecular simulation approach HA Vargas Guzman, C Cooper, A Poma Bulletin of the American Physical Society 65, 2020 | 1 | 2020 |
| Coupling finite and boundary element methods to solve the Poisson–Boltzmann equation for electrostatics in molecular solvation M Bosy, MW Scroggs, T Betcke, E Burman, CD Cooper Journal of Computational Chemistry 45 (11), 787-797, 2024 | | 2024 |
Lorena A BarbaProfessor, Mechanical and Aerospace Engineering, George Washington UniversityVerified email at gwu.edu
