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Conformational heterogeneity in CCR7 undergoes transitions to specific states upon ligand binding.
Gaieb Z, Morikis D. Gaieb Z, et al. J Mol Graph Model. 2017 Jun;74:352-358. doi: 10.1016/j.jmgm.2017.04.012. Epub 2017 Apr 13. J Mol Graph Model. 2017. PMID: 28477575
In a recent study, We have shown that the binding of ligands CCL19 and CCL21 to CCR7 induces biased triggering of side chain-based molecular switches, which coordinate concerted transmembrane helical domain motions and transitioning of the receptor to distinct conformational stat …
In a recent study, We have shown that the binding of ligands CCL19 and CCL21 to CCR7 induces biased triggering of side chain-based molecular …
Role of Electrostatic Hotspots in the Selectivity of Complement Control Proteins Toward Human and Bovine Complement Inhibition.
Narkhede YB, Gautam AK, Hsu RV, Rodriguez W, Zewde NT, Harrison RES, Arantes PR, Gaieb Z, Gorham RD Jr, Kieslich C, Morikis D, Sahu A, Palermo G. Narkhede YB, et al. Among authors: gaieb z. Front Mol Biosci. 2021 Mar 16;8:618068. doi: 10.3389/fmolb.2021.618068. eCollection 2021. Front Mol Biosci. 2021. PMID: 33829039 Free PMC article.
The flexibility of ACE2 in the context of SARS-CoV-2 infection.
Barros EP, Casalino L, Gaieb Z, Dommer AC, Wang Y, Fallon L, Raguette L, Belfon K, Simmerling C, Amaro RE. Barros EP, et al. Among authors: gaieb z. Biophys J. 2021 Mar 16;120(6):1072-1084. doi: 10.1016/j.bpj.2020.10.036. Epub 2020 Nov 13. Biophys J. 2021. PMID: 33189680 Free PMC article.
D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
Parks CD, Gaieb Z, Chiu M, Yang H, Shao C, Walters WP, Jansen JM, McGaughey G, Lewis RA, Bembenek SD, Ameriks MK, Mirzadegan T, Burley SK, Amaro RE, Gilson MK. Parks CD, et al. Among authors: gaieb z. J Comput Aided Mol Des. 2020 Feb;34(2):99-119. doi: 10.1007/s10822-020-00289-y. Epub 2020 Jan 23. J Comput Aided Mol Des. 2020. PMID: 31974851 Free PMC article.
23 results