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Problems of robustness in Poisson-Boltzmann binding free energies.
J Chem Theory Comput. 2015 Feb 10;11(2):705-12. doi: 10.1021/ct5005017.
J Chem Theory Comput. 2015.
PMID: 26528091
Free PMC article.
Features of CPB: a Poisson-Boltzmann solver that uses an adaptive Cartesian grid.
Fenley MO, Harris RC, Mackoy T, Boschitsch AH.
Fenley MO, et al. Among authors: mackoy t.
J Comput Chem. 2015 Feb 5;36(4):235-43. doi: 10.1002/jcc.23791. Epub 2014 Nov 27.
J Comput Chem. 2015.
PMID: 25430617
Free PMC article.
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Drivers of mortality in COVID ARDS depend on patient sub-type.
Cheyne H, Gandomi A, Hosseini Vajargah S, Catterson VM, Mackoy T, McCullagh L, Musso G, Hajizadeh N.
Cheyne H, et al. Among authors: mackoy t.
Comput Biol Med. 2023 Sep 16;166:107483. doi: 10.1016/j.compbiomed.2023.107483. Online ahead of print.
Comput Biol Med. 2023.
PMID: 37748219
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Temperature Dependence of Static Structure Factor Peak Intensities for a Pyrrolidinium-Based Ionic Liquid.
Mackoy T, Mauro NA, Wheeler RA.
Mackoy T, et al.
J Phys Chem B. 2019 Feb 21;123(7):1672-1678. doi: 10.1021/acs.jpcb.9b00449. Epub 2019 Feb 6.
J Phys Chem B. 2019.
PMID: 30673263
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