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Refinado por: Base de dados/Biblioteca: EBSCO_MEDLINE Complete（医学期刊全文数据库） remover assunto: Ligands remover assunto: Science & Technology remover
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The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank
The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank
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The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank

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

Bioinformatics, 2015-04, Vol.31 (8), p.1274-1278 [Periódico revisado por pares]

England: Oxford University Press

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2
D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies
D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies
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D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

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.

Journal of computer-aided molecular design, 2020-02, Vol.34 (2), p.99-119 [Periódico revisado por pares]

Cham: Springer International Publishing

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3
D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies
D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies
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D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

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.

Journal of computer-aided molecular design, 2018-01, Vol.32 (1), p.1-20 [Periódico revisado por pares]

Cham: Springer International Publishing

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4
D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings
D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings
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D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings

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.

Journal of computer-aided molecular design, 2019-01, Vol.33 (1), p.1-18 [Periódico revisado por pares]

Cham: Springer International Publishing

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5
Small molecule annotation for the Protein Data Bank
Small molecule annotation for the Protein Data Bank
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Small molecule annotation for the Protein Data Bank

Sen, Sanchayita ; Young, Jasmine ; Berrisford, John M ; Chen, Minyu ; Conroy, Matthew J ; Dutta, Shuchismita ; Di Costanzo, Luigi ; Gao, Guanghua ; Ghosh, Sutapa ; Hudson, Brian P ; Igarashi, Reiko ; Kengaku, Yumiko ; Liang, Yuhe ; Peisach, Ezra ; Persikova, Irina ; Mukhopadhyay, Abhik ; Narayanan, Buvaneswari Coimbatore ; Sahni, Gaurav ; Sato, Junko ; Sekharan, Monica ; Shao, Chenghua ; Tan, Lihua ; Zhuravleva, Marina A

Database : the journal of biological databases and curation, 2014, Vol.2014, p.bau116-bau116 [Periódico revisado por pares]

England: Oxford University Press - International Society for Biocuration

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