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

por Gaieb, Zied, Morikis, Dimitrios
Publicado 2017

An Analysis of Proteochemometric and Conformal Prediction Machine Learning Protein-Ligand Binding Affinity Models

por Parks, Conor, Gaieb, Zied, Amaro, Rommie E.
Publicado 2020

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

por Chen, Carl Z., Gorham, Ronald D., Gaieb, Zied, Morikis, Dimitrios
Publicado 2015

Comparison of commonly used solid tumor targeted gene sequencing panels for estimating tumor mutation burden shows analytical and prognostic concordance within the cancer genome at...

por Bevins, Nicholas, Sun, Shulei, Gaieb, Zied, Thorson, John A, Murray, Sarah S
Publicado 2020

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

por Malik-Chaudhry, Harbani Kaur, Gaieb, Zied, Saavedra, Amanda, Reyes, Michael, Kung, Raphael, Le, Frank, Morikis, Dimitrios, Liao, Jiayu
Publicado 2018

SARS-CoV-2 Glycosylated Spike Activation Mechanism - Simulations of the Full Unbiased Pathway

por Sztain-Pedone, Terra, Ahn, Surl-Hee, Bogetti, Anthony, Casalino, Lorenzo, Gaieb, Zied, McCammon, James A., Chong, Lillian T., Amaro, Rommie E.
Publicado 2021

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

por Barros, Emilia P., Casalino, Lorenzo, Gaieb, Zied, Dommer, Abigail C., Wang, Yuzhang, Fallon, Lucy, Raguette, Lauren, Belfon, Kellon, Simmerling, Carlos, Amaro, Rommie E.
Publicado 2021

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

por Yu, Alvin, Pak, Alexander J., He, Peng, Monje-Galvan, Viviana, Casalino, Lorenzo, Gaieb, Zied, Dommer, Abigail C., Amaro, Rommie E., Voth, Gregory A.
Publicado 2021

Disease-related mutations in PI3Kγ disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors

por Rathinaswamy, Manoj K, Gaieb, Zied, Fleming, Kaelin D, Borsari, Chiara, Harris, Noah J, Moeller, Brandon E, Wymann, Matthias P, Amaro, Rommie E, Burke, John E
Publicado 2021

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

por Oliveira, A. Sofia F., Ibarra, Amaurys Avila, Bermudez, Isabel, Casalino, Lorenzo, Gaieb, Zied, Shoemark, Deborah K., Gallagher, Timothy, Sessions, Richard B., Amaro, Rommie E., Mulholland, Adrian J.
Publicado 2020

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

por Oliveira, A. Sofia F., Ibarra, Amaurys Avila, Bermudez, Isabel, Casalino, Lorenzo, Gaieb, Zied, Shoemark, Deborah K., Gallagher, Timothy, Sessions, Richard B., Amaro, Rommie E., Mulholland, Adrian J.
Publicado 2021

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

por Narkhede, Yogesh B., Gautam, Avneesh K., Hsu, Rohaine V., Rodriguez, Wilson, Zewde, Nehemiah T., Harrison, Reed E. S., Arantes, Pablo R., Gaieb, Zied, Gorham, Ronald D., Kieslich, Chris, Morikis, Dimitrios, Sahu, Arvind, Palermo, Giulia
Publicado 2021

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

por Casalino, Lorenzo, Gaieb, Zied, Goldsmith, Jory A., Hjorth, Christy K., Dommer, Abigail C., Harbison, Aoife M., Fogarty, Carl A., Barros, Emilia P., Taylor, Bryn C., McLellan, Jason S., Fadda, Elisa, Amaro, Rommie E.
Publicado 2020

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

por Casalino, Lorenzo, Gaieb, Zied, Goldsmith, Jory A., Hjorth, Christy K., Dommer, Abigail C., Harbison, Aoife M., Fogarty, Carl A., Barros, Emilia P., Taylor, Bryn C., McLellan, Jason S., Fadda, Elisa, Amaro, Rommie E.
Publicado 2020

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

por Casalino, Lorenzo, Dommer, Abigail, Gaieb, Zied, Barros, Emilia P., Sztain, Terra, Ahn, Surl-Hee, Trifan, Anda, Brace, Alexander, Bogetti, Anthony, Ma, Heng, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Chong, Lillian, Simmerling, Carlos, Hardy, David J., Maia, Julio D. C., Phillips, James C., Kurth, Thorsten, Stern, Abraham, Huang, Lei, McCalpin, John, Tatineni, Mahidhar, Gibbs, Tom, Stone, John E., Jha, Shantenu, Ramanathan, Arvind, Amaro, Rommie E.
Publicado 2020

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

por Casalino, Lorenzo, Dommer, Abigail C, Gaieb, Zied, Barros, Emilia P, Sztain, Terra, Ahn, Surl-Hee, Trifan, Anda, Brace, Alexander, Bogetti, Anthony T, Clyde, Austin, Ma, Heng, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Chong, Lillian T, Simmerling, Carlos, Hardy, David J, Maia, Julio DC, Phillips, James C, Kurth, Thorsten, Stern, Abraham C, Huang, Lei, McCalpin, John D, Tatineni, Mahidhar, Gibbs, Tom, Stone, John E, Jha, Shantenu, Ramanathan, Arvind, Amaro, Rommie E
Publicado 2021