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Evaluating the accuracy of the AMBER protein force fields in modeling dihydrofolate reductase structures: misbalance in the conformational arrangements of the flexible loop domains.
J Biomol Struct Dyn. 2023 Aug-Sep;41(13):5946-5960. doi: 10.1080/07391102.2022.2098823. Epub 2022 Jul 15.
J Biomol Struct Dyn. 2023.
PMID: 35838167
Free PMC article.
Re-engineered p53 chimera with enhanced homo-oligomerization that maintains tumor suppressor activity.
Okal A, Cornillie S, Matissek SJ, Matissek KJ, Cheatham TE 3rd, Lim CS.
Okal A, et al. Among authors: cornillie s.
Mol Pharm. 2014 Jul 7;11(7):2442-52. doi: 10.1021/mp500202p. Epub 2014 May 29.
Mol Pharm. 2014.
PMID: 24836513
Free PMC article.
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Application of Thiol-yne/Thiol-ene Reactions for Peptide and Protein Macrocyclizations.
Wang Y, Bruno BJ, Cornillie S, Nogieira JM, Chen D, Cheatham TE 3rd, Lim CS, Chou DH.
Wang Y, et al. Among authors: cornillie s.
Chemistry. 2017 May 23;23(29):7087-7092. doi: 10.1002/chem.201700572. Epub 2017 Apr 26.
Chemistry. 2017.
PMID: 28345248
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Computational Modeling of Stapled Peptides toward a Treatment Strategy for CML and Broader Implications in the Design of Lengthy Peptide Therapeutics.
Cornillie SP, Bruno BJ, Lim CS, Cheatham TE 3rd.
Cornillie SP, et al.
J Phys Chem B. 2018 Apr 12;122(14):3864-3875. doi: 10.1021/acs.jpcb.8b01014. Epub 2018 Mar 22.
J Phys Chem B. 2018.
PMID: 29519125
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