Works by Shao, Chenghua

Results: 16

Frozen in Motion: FAIR and Sustainable Data Management in Cryo-EM at the Worldwide Protein Data Bank.

Published in:

Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.182

By:

Flatt, Justin W;
Hudson, Brian P;
Persikova, Irina;
Liang, Yuhe;
Feng, Zukang;
Shao, Chenghua;
Peisach, Ezra;
Young, Jasmine Y;
Team, wwPDB OneDep;
Burley, Stephen K

Publication type:

Article

Assessing and Maximizing the Quality of 3DEM Structure Data at the Worldwide Protein Data Bank.

Published in:

2023

By:

Flatt, Justin W;
Hudson, Brian P;
Persikova, Irina;
Liang, Yuhe;
Shao, Chenghua;
Peisach, Ezra;
Young, Jasmine Y;
Burley, Stephen K

Publication type:

Abstract

Modernized uniform representation of carbohydrate molecules in the Protein Data Bank.

Published in:

Glycobiology, 2021, v. 31, n. 9, p. 1204, doi. 10.1093/glycob/cwab039

By:

Shao, Chenghua;
Feng, Zukang;
Westbrook, John D;
Peisach, Ezra;
Berrisford, John;
Ikegawa, Yasuyo;
Kurisu, Genji;
Velankar, Sameer;
Burley, Stephen K;
Young, Jasmine Y

Publication type:

Article

Protein Data Bank: 50 Years of Macromolecular Structures Enabling Research and Education.

Published in:

FASEB Journal, 2021, v. 35, p. N.PAG, doi. 10.1096/fasebj.2021.35.S1.00456

By:

Zardecki, Christine;
Shao, Chenghua;
Voigt, Maria;
Burley, Stephen

Publication type:

Article

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

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

RCSB Protein Data Bank: Enabling biomedical research and drug discovery.

Published in:

Protein Science: A Publication of the Protein Society, 2020, v. 29, n. 1, p. 52, doi. 10.1002/pro.3730

By:

Goodsell, David S.;
Zardecki, Christine;
Di Costanzo, Luigi;
Duarte, Jose M.;
Hudson, Brian P.;
Persikova, Irina;
Segura, Joan;
Shao, Chenghua;
Voigt, Maria;
Westbrook, John D.;
Young, Jasmine Y.;
Burley, Stephen K.

Publication type:

Article

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank.

Published in:

Bioinformatics, 2015, v. 31, n. 8, p. 1274, doi. 10.1093/bioinformatics/btu789

By:

Westbrook, John D.;
Chenghua Shao;
Zukang Feng;
Zhuravleva, Marina;
Velankar, Sameer;
Young, Jasmine

Publication type:

Article

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank.

Published in:

Bioinformatics, 2015, v. 31, n. 7, p. 1274, doi. 10.1093/bioinformatics/btu789

By:

Westbrook, John D.;
Chenghua Shao;
Zukang Feng;
Zhuravleva, Marina;
Velankar, Sameer;
Young, Jasmine

Publication type:

Article

Trendspotting in the Protein Data Bank.

Published in:

FEBS Letters, 2013, v. 587, n. 8, p. 1036, doi. 10.1016/j.febslet.2012.12.029

By:

Berman, Helen M.;
Coimbatore Narayanan, Buvaneswari;
Costanzo, Luigi Di;
Dutta, Shuchismita;
Ghosh, Sutapa;
Hudson, Brian P.;
Lawson, Catherine L.;
Peisach, Ezra;
Prlić, Andreas;
Rose, Peter W.;
Shao, Chenghua;
Yang, Huanwang;
Young, Jasmine;
Zardecki, Christine

Publication type:

Article

Protein Data Bank: A Comprehensive Review of 3D Structure Holdings and Worldwide Utilization by Researchers, Educators, and Students.

Published in:

Biomolecules (2218-273X), 2022, v. 12, n. 10, p. N.PAG, doi. 10.3390/biom12101425

By:

Burley, Stephen K.;
Berman, Helen M.;
Duarte, Jose M.;
Feng, Zukang;
Flatt, Justin W.;
Hudson, Brian P.;
Lowe, Robert;
Peisach, Ezra;
Piehl, Dennis W.;
Rose, Yana;
Sali, Andrej;
Sekharan, Monica;
Shao, Chenghua;
Vallat, Brinda;
Voigt, Maria;
Westbrook, John D.;
Young, Jasmine Y.;
Zardecki, Christine

Publication type:

Article

Improving the representation of peptide-like inhibitor and antibiotic molecules in the Protein Data Bank.

Published in:

Biopolymers, 2014, v. 101, n. 6, p. 659, doi. 10.1002/bip.22434

By:

Dutta, Shuchismita;
Dimitropoulos, Dimitris;
Feng, Zukang;
Persikova, Irina;
Sen, Sanchayita;
Shao, Chenghua;
Westbrook, John;
Young, Jasmine;
Zhuravleva, Marina A.;
Kleywegt, Gerard J.;
Berman, Helen M.

Publication type:

Article

The RCSB protein data bank: integrative view of protein, gene and 3D structural information.

Published in:

Nucleic Acids Research, 2017, v. 45, n. D1, p. D271, doi. 10.1093/nar/gkw1000

By:

Rose, Peter W.;
Prlić, Andreas;
Altunkaya, Ali;
Chunxiao Bi;
Bradley, Anthony R.;
Christie, Cole H.;
Di Costanzo, Luigi;
Duarte, Jose M.;
Dutta, Shuchismita;
Zukang Feng;
Green, Rachel Kramer;
Goodsel, David S.;
Hudson, Brian;
Kalro, Tara;
Lowe, Robert;
Peisach, Ezra;
Randle, Christopher;
Rose, Alexander S.;
Chenghua Shao;
Yi-Ping Tao

Publication type:

Article

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

Chemical annotation of small and peptide-like molecules at the Protein Data Bank.

Published in:

Database: The Journal of Biological Databases & Curation, 2013, v. 2013, p. 1, doi. 10.1093/database/bat079

By:

Jasmine Y. Young;
Zukang Feng;
Dimitropoulos, Dimitris;
Sala, Raul;
Westbrook, John;
Zhuravleva, Marina;
Chenghua Shao;
Quesada, Martha;
Peisach, Ezra;
Berman, Helen M.

Publication type:

Article

Visualizing and analyzing 3D biomolecular structures using Mol* at RCSB.org: Influenza A H5N1 virus proteome case study.

Published in:

Protein Science: A Publication of the Protein Society, 2025, v. 34, n. 4, p. 1, doi. 10.1002/pro.70093

By:

Bittrich, Sebastian;
Rose, Alexander S.;
Sehnal, David;
Duarte, Jose M.;
Rose, Yana;
Segura, Joan;
Piehl, Dennis W.;
Vallat, Brinda;
Shao, Chenghua;
Bhikadiya, Charmi;
Liang, Jesse;
Ma, Mark;
Goodsell, David S.;
Burley, Stephen K.;
Dutta, Shuchismita

Publication type:

Article