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Transmembrane Protease Serine 2 Proteolytic Cleavage of the SARS-CoV-2 Spike Protein: A Mechanistic Quantum Mechanics/Molecular Mechanics Study to Inspire the Design of New Drugs To Fight the COVID-19 Pandemic.
Teixeira LMC, Coimbra JTS, Ramos MJ, Fernandes PA. Teixeira LMC, et al. Among authors: coimbra jts. J Chem Inf Model. 2022 May 23;62(10):2510-2521. doi: 10.1021/acs.jcim.1c01561. Epub 2022 May 12. J Chem Inf Model. 2022. PMID: 35549216 Free PMC article.
Exploring the permeation of fluoroquinolone metalloantibiotics across outer membrane porins by combining molecular dynamics simulations and a porin-mimetic in vitro model.
Sousa CF, Coimbra JTS, Richter R, Morais-Cabral JH, Ramos MJ, Lehr CM, Fernandes PA, Gameiro P. Sousa CF, et al. Among authors: coimbra jts. Biochim Biophys Acta Biomembr. 2022 Mar 1;1864(3):183838. doi: 10.1016/j.bbamem.2021.183838. Epub 2021 Dec 8. Biochim Biophys Acta Biomembr. 2022. PMID: 34896074 Free article.
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