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The conformational landscape of human transthyretin revealed by cryo-EM.
Basanta B, Nugroho K, Yan NL, Kline GM, Powers ET, Tsai FJ, Wu M, Hansel-Harris A, Chen JS, Forli S, Kelly JW, Lander GC. Basanta B, et al. Among authors: forli s. bioRxiv [Preprint]. 2024 Jan 23:2024.01.23.576879. doi: 10.1101/2024.01.23.576879. bioRxiv. 2024. PMID: 38328110 Free PMC article. Preprint.
Proteome-wide covalent ligand discovery in native biological systems.
Backus KM, Correia BE, Lum KM, Forli S, Horning BD, González-Páez GE, Chatterjee S, Lanning BR, Teijaro JR, Olson AJ, Wolan DW, Cravatt BF. Backus KM, et al. Among authors: forli s. Nature. 2016 Jun 23;534(7608):570-4. doi: 10.1038/nature18002. Epub 2016 Jun 15. Nature. 2016. PMID: 27309814 Free PMC article.
SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Zheng Q, Woehl JL, Kitamura S, Santos-Martins D, Smedley CJ, Li G, Forli S, Moses JE, Wolan DW, Sharpless KB. Zheng Q, et al. Among authors: forli s. Proc Natl Acad Sci U S A. 2019 Sep 17;116(38):18808-18814. doi: 10.1073/pnas.1909972116. Epub 2019 Sep 4. Proc Natl Acad Sci U S A. 2019. PMID: 31484779 Free PMC article.
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.
Acharya A, Agarwal R, Baker M, Baudry J, Bhowmik D, Boehm S, Byler KG, Coates L, Chen SY, Cooper CJ, Demerdash O, Daidone I, Eblen JD, Ellingson S, Forli S, Glaser J, Gumbart JC, Gunnels J, Hernandez O, Irle S, Larkin J, Lawrence TJ, LeGrand S, Liu SH, Mitchell JC, Park G, Parks JM, Pavlova A, Petridis L, Poole D, Pouchard L, Ramanathan A, Rogers D, Santos-Martins D, Scheinberg A, Sedova A, Shen S, Smith JC, Smith MD, Soto C, Tsaris A, Thavappiragasam M, Tillack AF, Vermaas JV, Vuong VQ, Yin J, Yoo S, Zahran M, Zanetti-Polzi L. Acharya A, et al. Among authors: forli s. ChemRxiv [Preprint]. 2020 Jul 29. doi: 10.26434/chemrxiv.12725465. ChemRxiv. 2020. Update in: J Chem Inf Model. 2020 Dec 28;60(12):5832-5852. doi: 10.1021/acs.jcim.0c01010 PMID: 33200117 Free PMC article. Updated. Preprint.
Charting Hydrogen Bond Anisotropy.
Santos-Martins D, Forli S. Santos-Martins D, et al. Among authors: forli s. J Chem Theory Comput. 2020 Apr 14;16(4):2846-2856. doi: 10.1021/acs.jctc.9b01248. Epub 2020 Mar 10. J Chem Theory Comput. 2020. PMID: 32105473 Free PMC article.
93 results