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OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space.
J Chem Theory Comput. 2021 Jul 13;17(7):4291-4300. doi: 10.1021/acs.jctc.1c00302. Epub 2021 Jun 7.
J Chem Theory Comput. 2021.
PMID: 34096718
AutoQSAR: an automated machine learning tool for best-practice quantitative structure-activity relationship modeling.
Dixon SL, Duan J, Smith E, Von Bargen CD, Sherman W, Repasky MP.
Dixon SL, et al. Among authors: von bargen cd.
Future Med Chem. 2016 Oct;8(15):1825-1839. doi: 10.4155/fmc-2016-0093. Epub 2016 Sep 19.
Future Med Chem. 2016.
PMID: 27643715
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Single-handed helical wrapping of single-walled carbon nanotubes by chiral, ionic, semiconducting polymers.
Deria P, Von Bargen CD, Olivier JH, Kumbhar AS, Saven JG, Therien MJ.
Deria P, et al. Among authors: von bargen cd.
J Am Chem Soc. 2013 Oct 30;135(43):16220-34. doi: 10.1021/ja408430v. Epub 2013 Oct 21.
J Am Chem Soc. 2013.
PMID: 24070370
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Computational Design of Single-Peptide Nanocages with Nanoparticle Templating.
Villegas JA, Sinha NJ, Teramoto N, Von Bargen CD, Pochan DJ, Saven JG.
Villegas JA, et al. Among authors: von bargen cd.
Molecules. 2022 Feb 12;27(4):1237. doi: 10.3390/molecules27041237.
Molecules. 2022.
PMID: 35209027
Free PMC article.
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Engineering complementary hydrophobic interactions to control β-hairpin peptide self-assembly, network branching, and hydrogel properties.
Sathaye S, Zhang H, Sonmez C, Schneider JP, MacDermaid CM, Von Bargen CD, Saven JG, Pochan DJ.
Sathaye S, et al. Among authors: von bargen cd.
Biomacromolecules. 2014 Nov 10;15(11):3891-900. doi: 10.1021/bm500874t. Epub 2014 Oct 17.
Biomacromolecules. 2014.
PMID: 25251904
Free PMC article.
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Origins of the helical wrapping of phenyleneethynylene polymers about single-walled carbon nanotubes.
Von Bargen CD, MacDermaid CM, Lee OS, Deria P, Therien MJ, Saven JG.
Von Bargen CD, et al.
J Phys Chem B. 2013 Oct 24;117(42):12953-65. doi: 10.1021/jp402140t. Epub 2013 Aug 14.
J Phys Chem B. 2013.
PMID: 23941695
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