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Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations.
Grottesi A, Bešker N, Emerson A, Manelfi C, Beccari AR, Frigerio F, Lindahl E, Cerchia C, Talarico C. Grottesi A, et al. Among authors: lindahl e. Int J Mol Sci. 2020 Jul 28;21(15):5346. doi: 10.3390/ijms21155346. Int J Mol Sci. 2020. PMID: 32731361 Free PMC article.
Molecular dynamics simulations.
Lindahl ER. Lindahl ER. Methods Mol Biol. 2008;443:3-23. doi: 10.1007/978-1-59745-177-2_1. Methods Mol Biol. 2008. PMID: 18446279
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics.
Gossen J, Albani S, Hanke A, Joseph BP, Bergh C, Kuzikov M, Costanzi E, Manelfi C, Storici P, Gribbon P, Beccari AR, Talarico C, Spyrakis F, Lindahl E, Zaliani A, Carloni P, Wade RC, Musiani F, Kokh DB, Rossetti G. Gossen J, et al. Among authors: lindahl e. ACS Pharmacol Transl Sci. 2021 Mar 16;4(3):1079-1095. doi: 10.1021/acsptsci.0c00215. eCollection 2021 Jun 11. ACS Pharmacol Transl Sci. 2021. PMID: 34136757 Free PMC article.
Molecular dynamics simulations.
Lindahl E. Lindahl E. Methods Mol Biol. 2015;1215:3-26. doi: 10.1007/978-1-4939-1465-4_1. Methods Mol Biol. 2015. PMID: 25330956
Model quality assessment for membrane proteins.
Ray A, Lindahl E, Wallner B. Ray A, et al. Among authors: lindahl e. Bioinformatics. 2010 Dec 15;26(24):3067-74. doi: 10.1093/bioinformatics/btq581. Epub 2010 Oct 14. Bioinformatics. 2010. PMID: 20947525
198 results