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Structural basis of omega-3 fatty acid transport across the blood-brain barrier.
Cater RJ, Chua GL, Erramilli SK, Keener JE, Choy BC, Tokarz P, Chin CF, Quek DQY, Kloss B, Pepe JG, Parisi G, Wong BH, Clarke OB, Marty MT, Kossiakoff AA, Khelashvili G, Silver DL, Mancia F. Cater RJ, et al. Among authors: pepe jg. Nature. 2021 Jul;595(7866):315-319. doi: 10.1038/s41586-021-03650-9. Epub 2021 Jun 16. Nature. 2021. PMID: 34135507 Free PMC article.
Structural basis of peptidoglycan synthesis by E. coli RodA-PBP2 complex.
Nygaard R, Graham CLB, Belcher Dufrisne M, Colburn JD, Pepe J, Hydorn MA, Corradi S, Brown CM, Ashraf KU, Vickery ON, Briggs NS, Deering JJ, Kloss B, Botta B, Clarke OB, Columbus L, Dworkin J, Stansfeld PJ, Roper DI, Mancia F. Nygaard R, et al. Nat Commun. 2023 Aug 24;14(1):5151. doi: 10.1038/s41467-023-40483-8. Nat Commun. 2023. PMID: 37620344 Free PMC article.
Docking for Molecules That Bind in a Symmetric Stack with SymDOCK.
Smith MS, Knight IS, Kormos RC, Pepe JG, Kunach P, Diamond MI, Shahmoradian SH, Irwin JJ, DeGrado WF, Shoichet BK. Smith MS, et al. Among authors: pepe jg. J Chem Inf Model. 2024 Jan 22;64(2):425-434. doi: 10.1021/acs.jcim.3c01749. Epub 2024 Jan 8. J Chem Inf Model. 2024. PMID: 38191997 Free PMC article.
Docking for molecules that bind in a symmetric stack with SymDOCK.
Smith MS, Knight IS, Kormos RC, Pepe JG, Kunach P, Diamond MI, Shahmoradian SH, Irwin JJ, DeGrado WF, Shoichet BK. Smith MS, et al. Among authors: pepe jg. bioRxiv [Preprint]. 2023 Oct 29:2023.10.27.564400. doi: 10.1101/2023.10.27.564400. bioRxiv. 2023. Update in: J Chem Inf Model. 2024 Jan 22;64(2):425-434. doi: 10.1021/acs.jcim.3c01749 PMID: 37961414 Free PMC article. Updated. Preprint.