Beyond shielding: the roles of glycans in the SARS-CoV-2 spike protein L Casalino, Z Gaieb, JA Goldsmith, CK Hjorth, AC Dommer, AM Harbison, ... ACS central science 6 (10), 1722-1734, 2020 | 897 | 2020 |
Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein L Casalino, Z Gaieb, JA Goldsmith, CK Hjorth, AC Dommer, AM Harbison, ... ACS Central Science, 2020 | 897 | 2020 |
D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies Z Gaieb, S Liu, S Gathiaka, M Chiu, H Yang, C Shao, VA Feher, ... Journal of computer-aided molecular design 32, 1-20, 2018 | 202 | 2018 |
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics L Casalino, AC Dommer, Z Gaieb, EP Barros, T Sztain, SH Ahn, A Trifan, ... The International Journal of High Performance Computing Applications 35 (5 …, 2021 | 172 | 2021 |
A multiscale coarse-grained model of the SARS-CoV-2 virion A Yu, AJ Pak, P He, V Monje-Galvan, L Casalino, Z Gaieb, AC Dommer, ... Biophysical journal 120 (6), 1097-1104, 2021 | 168 | 2021 |
D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings Z Gaieb, CD Parks, M Chiu, H Yang, C Shao, WP Walters, MH Lambert, ... Journal of computer-aided molecular design 33, 1-18, 2019 | 138 | 2019 |
The flexibility of ACE2 in the context of SARS-CoV-2 infection EP Barros, L Casalino, Z Gaieb, AC Dommer, Y Wang, L Fallon, ... Biophysical journal 120 (6), 1072-1084, 2021 | 125 | 2021 |
D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies CD Parks, Z Gaieb, M Chiu, H Yang, C Shao, WP Walters, JM Jansen, ... Journal of computer-aided molecular design 34, 99-119, 2020 | 117 | 2020 |
A potential interaction between the SARS-CoV-2 spike protein and nicotinic acetylcholine receptors ASF Oliveira, AA Ibarra, I Bermudez, L Casalino, Z Gaieb, DK Shoemark, ... Biophysical Journal 120 (6), 983-993, 2021 | 47 | 2021 |
Disease-related mutations in PI3Kγ disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors MK Rathinaswamy, Z Gaieb, KD Fleming, C Borsari, NJ Harris, ... Elife 10, e64691, 2021 | 31 | 2021 |
Simulations support the interaction of the SARS-CoV-2 spike protein with nicotinic acetylcholine receptors and suggest subtype specificity ASF Oliveira, AA Ibarra, I Bermudez, L Casalino, Z Gaieb, DK Shoemark, ... BioRxiv, 2020 | 25 | 2020 |
Development of Dimethylisoxazole-Attached Imidazo[1,2-a]pyridines as Potent and Selective CBP/P300 Inhibitors A Muthengi, VK Wimalasena, HO Yosief, MJ Bikowitz, LH Sigua, T Wang, ... Journal of Medicinal Chemistry 64 (9), 5787-5801, 2021 | 24 | 2021 |
Comparison of commonly used solid tumor targeted gene sequencing panels for estimating tumor mutation burden shows analytical and prognostic concordance within the cancer … N Bevins, S Sun, Z Gaieb, JA Thorson, SS Murray Journal for Immunotherapy of Cancer 8 (1), 2020 | 21 | 2020 |
Molecular Mechanism of Biased Ligand Conformational Changes in CC Chemokine Receptor 7 Z Gaieb, DD Lo, D Morikis Journal of Chemical Information and Modeling 56 (9), 1808-1822, 2016 | 17 | 2016 |
An Analysis of Proteochemometric and Conformal Prediction Machine Learning Protein-Ligand Binding Affinity Models C Parks, Z Gaieb, RE Amaro Frontiers in molecular biosciences 7, 93, 2020 | 16 | 2020 |
Dissecting Distinct Roles of NEDDylation E1 Ligase Heterodimer APPBP1 and UBA3 Reveals Potential Evolution Process for Activation of Ubiquitin-related Pathways DMJL Harbani Kaur Malik-Chaudhry, Zied Gaieb, Amanda Saavedra, Michael Reyes ... Scientific Reports 8 (10108), 2018 | 16 | 2018 |
Detection of Side Chain Rearrangements Mediating the Motions of Transmembrane Helices in Molecular Dynamics Simulations of G Protein-Coupled Receptors Z Gaieb, D Morikis Computational and Structural Biotechnology Journal 15, 131-137, 2017 | 12 | 2017 |
Shielding and Beyond: The Roles of Glycans in SARS-CoV-2 Spike Protein. L Casalino, Z Gaieb, JA Goldsmith, CK Hjorth, AC Dommer, AM Harbison, ... | 9* | 2020 |
AI-driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics, 2020 L Casalino, A Dommer, Z Gaieb, EP Barros, T Sztain, SH Ahn, A Trifan, ... | 5 | 2020 |
Conformational heterogeneity in CCR7 undergoes transitions to specific states upon ligand binding Z Gaieb, D Morikis Journal of Molecular Graphics and Modelling 74, 352-358, 2017 | 5 | 2017 |