Connecting you to content on EBSCOhost

Works by Gaieb, Zied

Results: 5

1

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

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 1, p. 1, doi. 10.1007/s10822-018-0180-4

By:

Gaieb, Zied;
Parks, Conor D.;
Chiu, Michael;
Yang, Huanwang;
Shao, Chenghua;
Walters, W. Patrick;
Lambert, Millard H.;
Nevins, Neysa;
Bembenek, Scott D.;
Ameriks, Michael K.;
Mirzadegan, Tara;
Burley, Stephen K.;
Amaro, Rommie E.;
Gilson, Michael K.

Publication type:

Article

2

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

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 1, p. 1, doi. 10.1007/s10822-017-0088-4

By:

Gaieb, Zied;
Liu, Shuai;
Gathiaka, Symon;
Chiu, Michael;
Yang, Huanwang;
Shao, Chenghua;
Feher, Victoria A.;
Walters, W. Patrick;
Kuhn, Bernd;
Rudolph, Markus G.;
Burley, Stephen K.;
Gilson, Michael K.;
Amaro, Rommie E.

Publication type:

Article

3

Disease-related mutations in PI3Kg disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.

Published in:

eLife, 2021, p. 1, doi. 10.7554/eLife.64691

By:

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.

Publication type:

Article

4

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

Published in:

International Journal of High Performance Computing Applications, 2021, v. 35, n. 5, p. 432, doi. 10.1177/10943420211006452

By:

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

Publication type:

Article

5

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

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 2, p. 99, doi. 10.1007/s10822-020-00289-y

By:

Parks, Conor D.;
Gaieb, Zied;
Chiu, Michael;
Yang, Huanwang;
Shao, Chenghua;
Walters, W. Patrick;
Jansen, Johanna M.;
McGaughey, Georgia;
Lewis, Richard A.;
Bembenek, Scott D.;
Ameriks, Michael K.;
Mirzadegan, Tara;
Burley, Stephen K.;
Amaro, Rommie E.;
Gilson, Michael K.

Publication type:

Article