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Broadly inhibitory antibodies against severe malaria virulence proteins.
Reyes RA, Raghavan SSR, Hurlburt NK, Introini V, Kana IH, Jensen RW, Martinez-Scholze E, Gestal-Mato M, Bau CB, Fernández-Quintero ML, Loeffler JR, Ferguson JA, Lee WH, Martin GM, Theander TG, Ssewanyana I, Feeney ME, Greenhouse B, Bol S, Ward AB, Bernabeu M, Pancera M, Turner L, Bunnik EM, Lavstsen T. Reyes RA, et al. Among authors: loeffler jr. bioRxiv [Preprint]. 2024 Jan 25:2024.01.25.577124. doi: 10.1101/2024.01.25.577124. bioRxiv. 2024. Update in: Nature. 2024 Dec;636(8041):182-189. doi: 10.1038/s41586-024-08220-3 PMID: 38328068 Free PMC article. Updated. Preprint.
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics.
Fischer AM, Tichy A, Kokot J, Hoerschinger VJ, Wild RF, Riccabona JR, Loeffler JR, Waibl F, Quoika PK, Gschwandtner P, Forli S, Ward AB, Liedl KR, Zacharias M, Fernández-Quintero ML. Fischer AM, et al. Among authors: loeffler jr. J Chem Theory Comput. 2024 Mar 12;20(5):2321-2333. doi: 10.1021/acs.jctc.3c01106. Epub 2024 Feb 19. J Chem Theory Comput. 2024. PMID: 38373307 Free PMC article.
Assessing AF2's ability to predict structural ensembles of proteins.
Riccabona JR, Spoendlin FC, Fischer AM, Loeffler JR, Quoika PK, Jenkins TP, Ferguson JA, Smorodina E, Laustsen AH, Greiff V, Forli S, Ward AB, Deane CM, Fernández-Quintero ML. Riccabona JR, et al. Among authors: loeffler jr. Structure. 2024 Nov 7;32(11):2147-2159.e2. doi: 10.1016/j.str.2024.09.001. Epub 2024 Sep 26. Structure. 2024. PMID: 39332396
On the humanization of VHHs: Prospective case studies, experimental and computational characterization of structural determinants for functionality.
Fernández-Quintero ML, Guarnera E, Musil D, Pekar L, Sellmann C, Freire F, Sousa RL, Santos SP, Freitas MC, Bandeiras TM, Silva MMS, Loeffler JR, Ward AB, Harwardt J, Zielonka S, Evers A. Fernández-Quintero ML, et al. Among authors: loeffler jr. Protein Sci. 2024 Nov;33(11):e5176. doi: 10.1002/pro.5176. Protein Sci. 2024. PMID: 39422475 Free PMC article.
CosolvKit: a Versatile Tool for Cosolvent MD Preparation and Analysis.
Bruciaferri N, Eberhardt J, Llanos MA, Loeffler JR, Holcomb M, Fernandez-Quintero ML, Santos-Martins D, Ward AB, Forli S. Bruciaferri N, et al. Among authors: loeffler jr. J Chem Inf Model. 2024 Nov 11;64(21):8227-8235. doi: 10.1021/acs.jcim.4c01398. Epub 2024 Oct 22. J Chem Inf Model. 2024. PMID: 39436011
Broadly inhibitory antibodies to severe malaria virulence proteins.
Reyes RA, Raghavan SSR, Hurlburt NK, Introini V, Bol S, Kana IH, Jensen RW, Martinez-Scholze E, Gestal-Mato M, López-Gutiérrez B, Sanz S, Bancells C, Fernández-Quintero ML, Loeffler JR, Ferguson JA, Lee WH, Martin GM, Theander TG, Lusingu JPA, Minja DTR, Ssewanyana I, Feeney ME, Greenhouse B, Ward AB, Bernabeu M, Pancera M, Turner L, Bunnik EM, Lavstsen T. Reyes RA, et al. Among authors: loeffler jr. Nature. 2024 Dec;636(8041):182-189. doi: 10.1038/s41586-024-08220-3. Epub 2024 Nov 20. Nature. 2024. PMID: 39567685
39 results