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Material Type: Artigo
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RCSB Protein Data Bank: Enabling biomedical research and drug discoveryGoodsell, 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.Protein science, 2020-01, Vol.29 (1), p.52-65 [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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Material Type: Artigo
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The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data BankWestbrook, John D ; Shao, Chenghua ; Feng, Zukang ; Zhuravleva, Marina ; Velankar, Sameer ; Young, JasmineBioinformatics, 2015-04, Vol.31 (8), p.1274-1278 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |
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Material Type: Artigo
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D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energiesParks, 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 PublishingTexto completo disponível |
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Material Type: Artigo
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D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energiesGaieb, 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 PublishingTexto completo disponível |
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Material Type: Artigo
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D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankingsGaieb, 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 PublishingTexto completo disponível |
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Material Type: Artigo
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EMDB—the Electron Microscopy Data BankTurner, Jack ; Abbott, Sanja ; Fonseca, Neli ; Pye, Ryan ; Carrijo, Lucas ; Duraisamy, Amudha Kumari ; Salih, Osman ; Wang, Zhe ; Kleywegt, Gerard J ; Morris, Kyle L ; Patwardhan, Ardan ; Burley, Stephen K ; Crichlow, Gregg ; Feng, Zukang ; Flatt, Justin W ; Ghosh, Sutapa ; Hudson, Brian P ; Lawson, Catherine L ; Liang, Yuhe ; Peisach, Ezra ; Persikova, Irina ; Sekharan, Monica ; Shao, Chenghua ; Young, Jasmine ; Velankar, Sameer ; Armstrong, David ; Bage, Marcus ; Bueno, Wesley Morellato ; Evans, Genevieve ; Gaborova, Romana ; Ganguly, Sudakshina ; Gupta, Deepti ; Harrus, Deborah ; Tanweer, Ahsan ; Bansal, Manju ; Rangannan, Vetriselvi ; Kurisu, Genji ; Cho, Hasumi ; Ikegawa, Yasuyo ; Kengaku, Yumiko ; Kim, Ju Yaen ; Niwa, Satomi ; Sato, Junko ; Takuwa, Ayako ; Yu, Jian ; Hoch, Jeffrey C ; Baskaran, Kumaran ; Xu, Wenqing ; Zhang, Weizhe ; Ma, XiaodanNucleic acids research, 2024-01, Vol.52 (D1), p.D456-D465 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |
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Material Type: Artigo
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Chemical annotation of small and peptide-like molecules at the Protein Data BankYoung, Jasmine Y ; Feng, Zukang ; Dimitropoulos, Dimitris ; Sala, Raul ; Westbrook, John ; Zhuravleva, Marina ; Shao, Chenghua ; Quesada, Martha ; Peisach, Ezra ; Berman, Helen MDatabase : the journal of biological databases and curation, 2013, Vol.2013, p.bat079-bat079 [Periódico revisado por pares]England: Oxford University Press - International Society for BiocurationTexto completo disponível |
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Material Type: Artigo
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RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciencesBurley, Stephen K ; Bhikadiya, Charmi ; Bi, Chunxiao ; Bittrich, Sebastian ; Chen, Li ; Crichlow, Gregg V ; Christie, Cole H ; Dalenberg, Kenneth ; Di Costanzo, Luigi ; Duarte, Jose M ; Dutta, Shuchismita ; Feng, Zukang ; Ganesan, Sai ; Goodsell, David S ; Ghosh, Sutapa ; Green, Rachel Kramer ; Guranović, Vladimir ; Guzenko, Dmytro ; Hudson, Brian P ; Lawson, Catherine L ; Liang, Yuhe ; Lowe, Robert ; Namkoong, Harry ; Peisach, Ezra ; Persikova, Irina ; Randle, Chris ; Rose, Alexander ; Rose, Yana ; Sali, Andrej ; Segura, Joan ; Sekharan, Monica ; Shao, Chenghua ; Tao, Yi-Ping ; Voigt, Maria ; Westbrook, John D ; Young, Jasmine Y ; Zardecki, Christine ; Zhuravleva, MarinaNucleic acids research, 2021-01, Vol.49 (D1), p.D437-D451 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |
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Material Type: Artigo
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RCSB Protein Data Bank: biological macromolecular structures enabling research and education in fundamental biology, biomedicine, biotechnology and energyBurley, Stephen K ; Berman, Helen M ; Bhikadiya, Charmi ; Bi, Chunxiao ; Chen, Li ; Di Costanzo, Luigi ; Christie, Cole ; Dalenberg, Ken ; Duarte, Jose M ; Dutta, Shuchismita ; Feng, Zukang ; Ghosh, Sutapa ; Goodsell, David S ; Green, Rachel K ; Guranović, Vladimir ; Guzenko, Dmytro ; Hudson, Brian P ; Kalro, Tara ; Liang, Yuhe ; Lowe, Robert ; Namkoong, Harry ; Peisach, Ezra ; Periskova, Irina ; Prlić, Andreas ; Randle, Chris ; Rose, Alexander ; Rose, Peter ; Sala, Raul ; Sekharan, Monica ; Shao, Chenghua ; Tan, Lihua ; Tao, Yi-Ping ; Valasatava, Yana ; Voigt, Maria ; Westbrook, John ; Woo, Jesse ; Yang, Huanwang ; Young, Jasmine ; Zhuravleva, Marina ; Zardecki, ChristineNucleic acids research, 2019-01, Vol.47 (D1), p.D464-D474 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |
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Material Type: Artigo
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The RCSB protein data bank: integrative view of protein, gene and 3D structural informationRose, Peter W ; Prlić, Andreas ; Altunkaya, Ali ; Bi, Chunxiao ; Bradley, Anthony R ; Christie, Cole H ; Costanzo, Luigi Di ; Duarte, Jose M ; Dutta, Shuchismita ; Feng, Zukang ; Green, Rachel Kramer ; Goodsell, David S ; Hudson, Brian ; Kalro, Tara ; Lowe, Robert ; Peisach, Ezra ; Randle, Christopher ; Rose, Alexander S ; Shao, Chenghua ; Tao, Yi-Ping ; Valasatava, Yana ; Voigt, Maria ; Westbrook, John D ; Woo, Jesse ; Yang, Huangwang ; Young, Jasmine Y ; Zardecki, Christine ; Berman, Helen M ; Burley, Stephen KNucleic acids research, 2017-01, Vol.45 (D1), p.D271-D281 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |