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Page 1
Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface.
El Ahdab D, Lagardère L, Inizan TJ, Célerse F, Liu C, Adjoua O, Jolly LH, Gresh N, Hobaika Z, Ren P, Maroun RG, Piquemal JP. El Ahdab D, et al. Among authors: hobaika z. J Phys Chem Lett. 2021 Jul 8;12(26):6218-6226. doi: 10.1021/acs.jpclett.1c01460. Epub 2021 Jul 1. J Phys Chem Lett. 2021. PMID: 34196568 Free PMC article.
Reconciling NMR Structures of the HIV-1 Nucleocapsid Protein NCp7 Using Extensive Polarizable Force Field Free-Energy Simulations.
El Khoury L, Célerse F, Lagardère L, Jolly LH, Derat E, Hobaika Z, Maroun RG, Ren P, Bouaziz S, Gresh N, Piquemal JP. El Khoury L, et al. Among authors: hobaika z. J Chem Theory Comput. 2020 Apr 14;16(4):2013-2020. doi: 10.1021/acs.jctc.9b01204. Epub 2020 Mar 30. J Chem Theory Comput. 2020. PMID: 32178519 Free PMC article.
20 results