Publications by authors named "Zied Gaieb"

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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

March 2021

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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

ACS Cent Sci· October 2020

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Nootropic benzothiazoles promote dendritic spine formation by targeting fascin-1.
Aashish Shivkumar, Kyle R Berg, Kevin C Sibucao, Geoffray Leriche, Lara E Dozier, Zied Gaieb

J Biol Chem· September 2025

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AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics.
Lorenzo Casalino, Abigail C Dommer, Zied Gaieb, Emilia P Barros, Terra Sztain

Int J High Perform Comput Appl· September 2021

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Development of Dimethylisoxazole-Attached Imidazo[1,2-]pyridines as Potent and Selective CBP/P300 Inhibitors.
Alex Muthengi, Virangika K Wimalasena, Hailemichael O Yosief, Melissa J Bikowitz, Logan H Sigua, Zied Gaieb

J Med Chem· May 2021

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The flexibility of ACE2 in the context of SARS-CoV-2 infection.
Emilia P Barros, Lorenzo Casalino, Zied Gaieb, Abigail C Dommer, Yuzhang Wang

Biophys J· March 2021

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A potential interaction between the SARS-CoV-2 spike protein and nicotinic acetylcholine receptors.
A Sofia F Oliveira, Amaurys Avila Ibarra, Isabel Bermudez, Lorenzo Casalino, Zied Gaieb

Biophys J· March 2021

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Disease-related mutations in PI3Kγ disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Manoj K Rathinaswamy, Zied Gaieb, Kaelin D Fleming, Chiara Borsari, Noah J Harris

Elife· March 2021

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Role of Electrostatic Hotspots in the Selectivity of Complement Control Proteins Toward Human and Bovine Complement Inhibition.
Yogesh B Narkhede, Avneesh K Gautam, Rohaine V Hsu, Wilson Rodriguez, Nehemiah T Zewde, Zied Gaieb

Front Mol Biosci· March 2021

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AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.
Lorenzo Casalino, Abigail Dommer, Zied Gaieb, Emilia P Barros, Terra Sztain

bioRxiv· November 2020

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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

bioRxiv· October 2020

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Beyond Shielding: The Roles of Glycans in SARS-CoV-2 Spike Protein.
Lorenzo Casalino, Zied Gaieb, Jory A Goldsmith, Christy K Hjorth, Abigail C Dommer

bioRxiv· September 2020

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Simulations support the interaction of the SARS-CoV-2 spike protein with nicotinic acetylcholine receptors.
A Sofia F Oliveira, Amaurys Avila Ibarra, Isabel Bermudez, Lorenzo Casalino, Zied Gaieb

bioRxiv· September 2020

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An Analysis of Proteochemometric and Conformal Prediction Machine Learning Protein-Ligand Binding Affinity Models.
Conor Parks, Zied Gaieb, Rommie E Amaro

Front Mol Biosci· June 2020

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Comparison of commonly used solid tumor targeted gene sequencing panels for estimating tumor mutation burden shows analytical and prognostic concordance within the cancer genome atlas cohort.
Nicholas Bevins, Shulei Sun, Zied Gaieb, John A Thorson, Sarah S Murray

J Immunother Cancer· March 2020

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D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
Conor D Parks, Zied Gaieb, Michael Chiu, Huanwang Yang, Chenghua Shao

J Comput Aided Mol Des· February 2020

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D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings.
Zied Gaieb, Conor D Parks, Michael Chiu, Huanwang Yang, Chenghua Shao

J Comput Aided Mol Des· January 2019

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Dissecting Distinct Roles of NEDDylation E1 Ligase Heterodimer APPBP1 and UBA3 Reveals Potential Evolution Process for Activation of Ubiquitin-related Pathways.
Harbani Kaur Malik-Chaudhry, Zied Gaieb, Amanda Saavedra, Michael Reyes, Raphael Kung

Sci Rep· July 2018

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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

J Comput Aided Mol Des· January 2018

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Conformational heterogeneity in CCR7 undergoes transitions to specific states upon ligand binding.
Zied Gaieb, Dimitrios Morikis

J Mol Graph Model· June 2017

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Detection of Side Chain Rearrangements Mediating the Motions of Transmembrane Helices in Molecular Dynamics Simulations of G Protein-Coupled Receptors.
Zied Gaieb, Dimitrios Morikis

Comput Struct Biotechnol J· January 2017

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Molecular Mechanism of Biased Ligand Conformational Changes in CC Chemokine Receptor 7.
Zied Gaieb, David D Lo, Dimitrios Morikis

J Chem Inf Model· September 2016

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Electrostatic Interactions between Complement Regulator CD46(SCR1-2) and Adenovirus Ad11/Ad21 Fiber Protein Knob.
Carl Z Chen, Ronald D Gorham, Zied Gaieb, Dimitrios Morikis

Mol Biol Int· September 2015

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