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RMG Database for Chemical Property Prediction.
J Chem Inf Model. 2022 Oct 24;62(20):4906-4915. doi: 10.1021/acs.jcim.2c00965. Epub 2022 Oct 12.
J Chem Inf Model. 2022.
PMID: 36222558
Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy.
Spiekermann KA, Pattanaik L, Green WH.
Spiekermann KA, et al.
J Phys Chem A. 2022 Jun 30;126(25):3976-3986. doi: 10.1021/acs.jpca.2c02614. Epub 2022 Jun 21.
J Phys Chem A. 2022.
PMID: 35727075
Review.
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High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions.
Spiekermann K, Pattanaik L, Green WH.
Spiekermann K, et al.
Sci Data. 2022 Jul 18;9(1):417. doi: 10.1038/s41597-022-01529-6.
Sci Data. 2022.
PMID: 35851390
Free PMC article.
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ConfSolv: Prediction of Solute Conformer-Free Energies across a Range of Solvents.
Pattanaik L, Menon A, Settels V, Spiekermann KA, Tan Z, Vermeire FH, Sandfort F, Eiden P, Green WH.
Pattanaik L, et al. Among authors: spiekermann ka.
J Phys Chem B. 2023 Nov 30;127(47):10151-10170. doi: 10.1021/acs.jpcb.3c05904. Epub 2023 Nov 15.
J Phys Chem B. 2023.
PMID: 37966798
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Erythrocyte membrane-coated nanogel for combinatorial antivirulence and responsive antimicrobial delivery against Staphylococcus aureus infection.
Zhang Y, Zhang J, Chen W, Angsantikul P, Spiekermann KA, Fang RH, Gao W, Zhang L.
Zhang Y, et al. Among authors: spiekermann ka.
J Control Release. 2017 Oct 10;263:185-191. doi: 10.1016/j.jconrel.2017.01.016. Epub 2017 Jan 10.
J Control Release. 2017.
PMID: 28087406
Free PMC article.
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Biomimetic Nanoemulsions for Oxygen Delivery In Vivo.
Zhuang J, Ying M, Spiekermann K, Holay M, Zhang Y, Chen F, Gong H, Lee JH, Gao W, Fang RH, Zhang L.
Zhuang J, et al.
Adv Mater. 2018 Dec;30(49):e1804693. doi: 10.1002/adma.201804693. Epub 2018 Oct 8.
Adv Mater. 2018.
PMID: 30294884
Free PMC article.
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Coating nanoparticles with gastric epithelial cell membrane for targeted antibiotic delivery against Helicobacter pylori infection.
Angsantikul P, Thamphiwatana S, Zhang Q, Spiekermann K, Zhuang J, Fang RH, Gao W, Obonyo M, Zhang L.
Angsantikul P, et al.
Adv Ther (Weinh). 2018 Jun;1(2):1800016. doi: 10.1002/adtp.201800016. Epub 2018 May 8.
Adv Ther (Weinh). 2018.
PMID: 30320205
Free PMC article.
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