Z
Zied Gaieb
Researcher at University of California, San Diego
Publications - 29
Citations - 1639
Zied Gaieb is an academic researcher from University of California, San Diego. The author has contributed to research in topics: Allosteric regulation & Protein structure. The author has an hindex of 13, co-authored 29 publications receiving 878 citations. Previous affiliations of Zied Gaieb include University of California & University of California, Riverside.
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Journal ArticleDOI
Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein
Lorenzo Casalino,Zied Gaieb,Jory A. Goldsmith,Christy K. Hjorth,Abigail C. Dommer,Aoife M. Harbison,Carl A Fogarty,Emilia P. Barros,Bryn C. Taylor,Jason S. McLellan,Elisa Fadda,Rommie E. Amaro +11 more
TL;DR: An essential structural role of N-glycans at sites N165 and N234 in modulating the conformational dynamics of the spike’s receptor binding domain (RBD) is revealed, which reduces binding to ACE2 as a result of the RBD conformational shift toward the “down” state.
Journal ArticleDOI
D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
Zied Gaieb,Shuai Liu,Symon Gathiaka,Michael Chiu,Huanwang Yang,Chenghua Shao,Victoria A. Feher,W. Patrick Walters,Bernd Kuhn,Markus G. Rudolph,Stephen K. Burley,Michael K. Gilson,Rommie E. Amaro +12 more
TL;DR: The outcome of GC2 underscores the pressing need for methods development in pose prediction, particularly for ligand scaffolds not currently represented in the Protein Data Bank (pdb.org), and in affinity ranking and scoring of bound ligands.
Posted ContentDOI
Shielding and Beyond: The Roles of Glycans in SARS-CoV-2 Spike Protein
Lorenzo Casalino,Zied Gaieb,Abigail C. Dommer,Aoife M. Harbison,Carl A Fogarty,Emilia P. Barros,Bryn C. Taylor,Elisa Fadda,Rommie E. Amaro +8 more
TL;DR: This work presents hitherto unseen functional and structural insights into the SARS-CoV-2 S protein and its glycan coat, providing a strategy to control the conformational plasticity of the RBD that could be harnessed for vaccine development.
Journal ArticleDOI
D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings
Zied Gaieb,Conor Parks,Michael Chiu,Huanwang Yang,Chenghua Shao,W. Patrick Walters,Millard H. Lambert,Neysa Nevins,Scott D. Bembenek,Michael K. Ameriks,Tara Mirzadegan,Stephen K. Burley,Rommie E. Amaro,Michael K. Gilson +13 more
TL;DR: Grand Challenge 3, held 2017–2018, centered on the protein Cathepsin S and the kinases VEGFR2, JAK2, p38-α, TIE2, and ABL1, and included both pose-prediction and affinity-ranking components.
Journal ArticleDOI
A Multiscale Coarse-grained Model of the SARS-CoV-2 Virion.
Alvin Yu,Alexander J. Pak,Peng He,Viviana Monje-Galvan,Lorenzo Casalino,Zied Gaieb,Abigail C. Dommer,Rommie E. Amaro,Gregory A. Voth +8 more
TL;DR: The current status and on-going development of a largely “bottom-up” coarse-grained (CG) model of the SARS-CoV-2 virion is reported and how CG molecular interactions can be derived from all-atom simulations are described.