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The NS4A Cofactor Dependent Enhancement of HCV NS3 Protease Activity Correlates with a 4D Geometrical Measure of the Catalytic Triad Region.
PLoS One. 2016 Dec 9;11(12):e0168002. doi: 10.1371/journal.pone.0168002. eCollection 2016.
PLoS One. 2016.
PMID: 27936126
Free PMC article.
A 3D structural model and dynamics of hepatitis C virus NS3/4A protease (genotype 4a, strain ED43) suggest conformational instability of the catalytic triad: implications in catalysis and drug resistivity.
Rimmert B, Sabet S, Ackad E, Yousef MS.
Rimmert B, et al. Among authors: ackad e.
J Biomol Struct Dyn. 2014;32(6):950-8. doi: 10.1080/07391102.2013.800001. Epub 2013 Jun 14.
J Biomol Struct Dyn. 2014.
PMID: 23768174
Free PMC article.
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Comparative molecular dynamics simulation of Hepatitis C Virus NS3/4A protease (Genotypes 1b, 3a and 4b) predicts conformational instability of the catalytic triad in drug resistant strains.
Kramer M, Halleran D, Rahman M, Iqbal M, Anwar MI, Sabet S, Ackad E, Yousef MS.
Kramer M, et al. Among authors: ackad e.
PLoS One. 2014 Aug 11;9(8):e104425. doi: 10.1371/journal.pone.0104425. eCollection 2014.
PLoS One. 2014.
PMID: 25111232
Free PMC article.
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Molecular dynamics simulations of an engineered T4 lysozyme exclude helix to sheet transition, and provide insights into long distance, intra-protein switchable motion.
Biggers L, Elhabashy H, Ackad E, Yousef MS.
Biggers L, et al. Among authors: ackad e.
Protein Sci. 2020 Feb;29(2):542-554. doi: 10.1002/pro.3780. Epub 2019 Nov 21.
Protein Sci. 2020.
PMID: 31702853
Free PMC article.
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Equilibrium landscape of ingress/egress channels and gating residues of the Cytochrome P450 3A4.
Ackad EM, Biggers L, Meister M, Kontoyianni M.
Ackad EM, et al.
PLoS One. 2024 Mar 18;19(3):e0298424. doi: 10.1371/journal.pone.0298424. eCollection 2024.
PLoS One. 2024.
PMID: 38498575
Free PMC article.
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