Zied Gaieb

发表

Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein

Rommie E. Amaro, Emília P. Barros, Bryn C. Taylor, 2020, ACS central science.

A potential interaction between the SARS-CoV-2 spike protein and nicotinic acetylcholine receptors

Rommie E. Amaro, L. Casalino, R. Sessions, 2021, Biophysical Journal.

D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

Rommie E. Amaro, M. Gilson, W. P. Walters, 2019, Journal of Computer-Aided Molecular Design.

D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings

Huanwang Yang, Stephen K. Burley, W. Patrick Walters, 2018, Journal of Computer-Aided Molecular Design.

The flexibility of ACE2 in the context of SARS-CoV-2 infection

Rommie E. Amaro, Emília P. Barros, Abigail C. Dommer, 2020, Biophysical Journal.

The flexibility of ACE2 in the context of SARS-CoV-2 infection

Y. Wang, Rommie E. Amaro, Emília P. Barros, 2020, bioRxiv.

Rommie E. Amaro, M. Rathinaswamy, J. Burke, 2021, eLife.

Rommie E. Amaro, M. Rathinaswamy, J. Burke, 2020, bioRxiv.

A multiscale coarse-grained model of the SARS-CoV-2 virion

Rommie E. Amaro, Lorenzo Casalino, Gregory A. Voth, 2020, Biophysical Journal.

A multiscale coarse-grained model of the SARS-CoV-2 virion

Rommie E. Amaro, Gregory A Voth, Lorenzo Casalino, 2020, bioRxiv.

Beyond Shielding: The Roles of Glycans in SARS-CoV-2 Spike Protein

Rommie E. Amaro, Lorenzo Casalino, Jason S. McLellan, 2020, bioRxiv.

Dissecting Distinct Roles of NEDDylation E1 Ligase Heterodimer APPBP1 and UBA3 Reveals Potential Evolution Process for Activation of Ubiquitin-related Pathways

Amanda N. Saavedra, Harbani K. Malik-Chaudhry, D. Morikis, 2018, Scientific Reports.

Shielding and Beyond: The Roles of Glycans in SARS-CoV-2 Spike Protein

Rommie E. Amaro, Emília P. Barros, Bryn C. Taylor, 2020 .

AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics

Shantenu Jha, Mahidhar Tatineni, John D. McCalpin, 2021, Int. J. High Perform. Comput. Appl..

AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics

Lei Huang, Mahidhar Tatineni, Carlos Simmerling, 2020, bioRxiv.

Electrostatic Interactions between Complement Regulator CD46(SCR1-2) and Adenovirus Ad11/Ad21 Fiber Protein Knob

D. Morikis, Z. Gaieb, R. D. Gorham, 2015, Molecular biology international.

Evaluation of Binding Site Comparison Algorithms and Proteometric Machine Learning Models in the Detection of Protein Pockets Capable of Binding the Same Ligand

Rommie E. Amaro, R. Amaro, Conor Parks, 2019 .

Conformational heterogeneity in CCR7 undergoes transitions to specific states upon ligand binding.

D. Morikis, Zied Gaieb, 2017, Journal of molecular graphics & modelling.

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

S. Murray, Z. Gaieb, Shulei Sun, 2020, Journal for ImmunoTherapy of Cancer.

D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

Shuai Liu, Huanwang Yang, Stephen K. Burley, 2017, Journal of Computer-Aided Molecular Design.

Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein

Rommie E. Amaro, Emília P. Barros, Bryn C. Taylor, 2020, ACS central science.

Simulations support the interaction of the SARS-CoV-2 spike protein with nicotinic acetylcholine receptors

Rommie E. Amaro, L. Casalino, R. Sessions, 2020, bioRxiv.

Molecular Mechanism of Biased Ligand Conformational Changes in CC Chemokine Receptor 7

Dimitrios Morikis, Zied Gaieb, David D. Lo, 2016, J. Chem. Inf. Model..

Shielding and Beyond: The Roles of Glycans in SARS-CoV-2 Spike Protein

Rommie E. Amaro, Emília P. Barros, Bryn C. Taylor, 2020 .

Supporting Information Simulations support the interaction of the SARS-CoV-2 spike protein with nicotinic acetylcholine receptors and suggest subtype specificity

Rommie E. Amaro, L. Casalino, A. Mulholland, 2020 .

Development of Dimethylisoxazole-Attached Imidazo[1,2-a]pyridines as Potent and Selective CBP/P300 Inhibitors.

Rommie E. Amaro, Shuai Liu, J. Qi, 2021, Journal of medicinal chemistry.

Detection of Side Chain Rearrangements Mediating the Motions of Transmembrane Helices in Molecular Dynamics Simulations of G Protein-Coupled Receptors

D. Morikis, Z. Gaieb, Zied Gaieb, 2017, Computational and structural biotechnology journal.

Machine Learning for Acute Oral System Toxicity Regression and Classification

Rommie E. Amaro, R. Amaro, Conor Parks, 2019 .

Role of Electrostatic Hotspots in the Selectivity of Complement Control Proteins Toward Human and Bovine Complement Inhibition

C. Kieslich, D. Morikis, P. Arantes, 2021, Frontiers in Molecular Biosciences.