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Computational science and re-discovery: open-source implementations of ellipsoidal harmonics for problems in potential theory

, and . CoRR, (2012)

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Biomolecular electrostatics using a fast multipole BEM on up to 512 gpus and a billion unknowns., , , , and . Comput. Phys. Commun., 182 (6): 1272-1283 (2011)A framework to optimize protein structure from solution scattering using ADMM and an elastic subdomain network., , , , and . ISBI, page 145-149. IEEE, (2016)Analytical Nonlocal Electrostatics Using Eigenfunction Expansions of Boundary-Integral Operators, , and . CoRR, (2012)Efficient numerical algorithms for surface formulations of mathematical models for biomolecule analysis and design.. Massachusetts Institute of Technology, Cambridge, MA, USA, (2006)ndltd.org (oai:dspace.mit.edu:1721.1/37897).A fast solver for nonlocal electrostatic theory in biomolecular science and engineering., and . DAC, page 801-805. ACM, (2011)Fast Solvers for Molecular Science and Engineering.. IEEE Des. Test Comput., 29 (3): 40-48 (2012)Fast methods for simulation of biomolecule electrostatics., , , , and . ICCAD, page 466-473. ACM / IEEE Computer Society, (2002)Modeling Charge-Sign Asymmetric Solvation Free Energies With Nonlinear Boundary Conditions., and . CoRR, (2014)Biomolecular Electrostatics Simulation by an FMM-based BEM on 512 GPUs, , , , and . CoRR, (2010)Dirichlet Priors for MAP Inference of Protein Conformation Abundances from SAXS., , , , , and . J. Signal Process. Syst., 90 (2): 167-174 (2018)