Zobrazeno 1 - 10
of 29
pro vyhledávání: '"Huanwang Yang"'
Autor:
Scott D. Bembenek, W. Patrick Walters, Neysa Nevins, Zied Gaieb, Michael K. Gilson, Michael Chiu, Chenghua Shao, Stephen K. Burley, Tara Mirzadegan, Rommie E. Amaro, Conor Parks, Millard H. Lambert, Michael K. Ameriks, Huanwang Yang
Publikováno v:
Journal of computer-aided molecular design, vol 33, iss 1
The Drug Design Data Resource aims to test and advance the state of the art in protein-ligand modeling, by holding community-wide blinded, prediction challenges. Here, we report on our third major round, Grand Challenge 3 (GC3). Held 2017–2018, GC3
Autor:
Robert Lowe, Maria Voigt, Zukang Feng, Dmytro Guzenko, Chenghua Shao, Raul Sala, Cole H. Christie, Tara Kalro, Chunxiao Bi, Irina Periskova, Christine Zardecki, David S. Goodsell, John D. Westbrook, Shuchismita Dutta, Andreas Prlić, Charmi Bhikadiya, Monica Sekharan, Marina Zhuravleva, Harry Namkoong, Ezra Peisach, Peter W. Rose, Helen M. Berman, Alexander S. Rose, Stephen K. Burley, Yana Valasatava, Christopher Randle, Luigi Di Costanzo, Yi-Ping Tao, Lihua Tan, Jasmine Young, Sutapa Ghosh, Jesse Woo, Kenneth Dalenberg, Rachel Kramer Green, Huanwang Yang, Jose M. Duarte, Brian P. Hudson, Li Chen, Vladimir Guranovic, Yu-He Liang
Publikováno v:
Nucleic Acids Research
The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB, rcsb.org), the US data center for the global PDB archive, serves thousands of Data Depositors in the Americas and Oceania and makes 3D macromolecular structure data
Autor:
conor parks, Zied Gaieb, Michael Chiu, Huanwang Yang, Chenghua Shao, W. Patrick Walters, Johanna M. Jansen, Georgia McGaughey, Richard A. Lewis, Scott D. Bembenek, Michael K. Ameriks, Tara Mirzadegan, Stephen K. Burley, Rommie Amaro, Michael Gilson
Publikováno v:
Journal of computer-aided molecular design, vol 34, iss 2
The Drug Design Data Resource (D3R) aims to identify best practice methods for computer aided drug design through blinded ligand pose prediction and affinity challenges. Herein, we report on the results of Grand Challenge 4 (GC4). GC4 focused on prot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f4200f6a797b77dbbe2d3d207bd6f54
https://doi.org/10.26434/chemrxiv.11363006
https://doi.org/10.26434/chemrxiv.11363006
Autor:
Zukang Feng, John D. Westbrook, Monica Sekharan, Yasuyo Ikegawa, Haruki Nakamura, Stephen K. Burley, Pieter M. S. Hendrickx, Chenghua Shao, Kumaran Baskaran, Aleksandras Gutmanas, Sameer Velankar, Eduardo Sanz Garcia, Ezra Peisach, Ardan Patwardhan, Thomas J. Oldfield, Catherine L. Lawson, John L. Markley, Helen M. Berman, Oliver S. Smart, John M. Berrisford, Swanand Gore, Eldon L. Ulrich, Abhik Mukhopadhyay, Gaurav Sahni, Jasmine Young, Sanchayita Sen, Gerard J. Kleywegt, Martha Quesada, Huanwang Yang, Naohiro Kobayashi, Reiko Yamashita, Brian P. Hudson, Steve Mading, Lora Mak
Publikováno v:
Structure(London, England:1993)
Structure
PubMed Central
Structure
PubMed Central
Summary The Worldwide PDB recently launched a deposition, biocuration, and validation tool: OneDep. At various stages of OneDep data processing, validation reports for three-dimensional structures of biological macromolecules are produced. These repo
Autor:
Johanna M. Jansen, Zied Gaieb, Michael K. Gilson, Michael K. Ameriks, Rommie E. Amaro, Chenghua Shao, Tara Mirzadegan, W. Patrick Walters, Michael Chiu, Scott D. Bembenek, Conor Parks, Georgia B. McGaughey, Huanwang Yang, Stephen K. Burley, Richard A. Lewis
Publikováno v:
J Comput Aided Mol Des
The Drug Design Data Resource (D3R) aims to identify best practice methods for computer aided drug design through blinded ligand pose prediction and affinity challenges. Herein, we report on the results of Grand Challenge 4 (GC4). GC4 focused on prot
Publikováno v:
Scientific Data
Outlier analyses are central to scientific data assessments. Conventional outlier identification methods do not work effectively for Protein Data Bank (PDB) data, which are characterized by heavy skewness and the presence of bounds and/or long tails.
Autor:
John D. Westbrook, Ezra Peisach, Stephen K. Burley, Jasmine Young, Helen M. Berman, Huanwang Yang
Publikováno v:
Journal of Applied Crystallography
DCC is a wrapper for third-party software packages to aid in structure factor analysis and validation. As the results are recorded in PDBx/mmCIF format, the output from DCC can be used in automatic data pipelines.
Since 2008, X-ray structure dep
Since 2008, X-ray structure dep
Autor:
Zied Gaieb, Conor Parks, Michael Chiu, Huanwang Yang, Chenghua Shao, Patrick Walters, Millard Lambert, Neysa Nevins, Scott D. Bembenek, Stephen K. Burley, Rommie E. Amaro, Michael K. Gilson
The Drug Design Data Resource aims to test and advance the state of the art in protein-ligand modeling, by holding community-wide blinded, prediction challenges. Here, we report on our third major round, Grand Challenge 3 (GC3). Held 2017-2018, GC3 c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d152b569fafee7b75317966653317240
https://doi.org/10.26434/chemrxiv.6752831
https://doi.org/10.26434/chemrxiv.6752831
Autor:
Marina Zhuravleva, Ezra Peisach, Monica Sekharan, Glen van Ginkel, Reiko Igarashi, Jasmine Young, M. Saqib Mir, Lora Mak, Dimitris Dimitropoulos, Raul Sala, David R. Armstrong, Sanchayita Sen, Sameer Velankar, Gerard J. Kleywegt, Li Chen, Lihua Tan, Swanand Gore, Reiko Yamashita, Sutapa Ghosh, Eduardo Sanz-García, Zukang Feng, John D. Westbrook, Vladimir Guranovic, Yu-He Liang, Aleksandras Gutmanas, Thomas J. Oldfield, Brian P. Hudson, Huanwang Yang, Minyu Chen, Guanghua Gao, G. Jawahar Swaminathan, Eldon L. Ulrich, Yasuyo Ikegawa, Naohiro Kobayashi, Irina Persikova, Luigi Di Costanzo, Steve Mading, John L. Markley, Chenghua Shao, Helen M. Berman, Luana Rinaldi, Ardan Patwardhan, John M. Berrisford, Abhik Mukhopadhyay, Haruki Nakamura, Stephen K. Burley, Catherine L. Lawson, Pieter M. S. Hendrickx, Martha Quesada
Publikováno v:
Structure
PubMed Central
PubMed Central
OneDep, a unified system for deposition, biocuration, and validation of experimentally determined structures of biological macromolecules to the Protein Data Bank (PDB) archive, has been developed as a global collaboration by the Worldwide Protein Da
Autor:
Marina Zhuravleva, Raul Sala, Lora Mak, Stephen K. Burley, Monica Sekharan, Oliver S. Smart, Brian P. Hudson, Ardan Patwardhan, Gerard J. Kleywegt, Alice R. Clark, Guanghua Gao, Kumaran Baskaran, Sutapa Ghosh, David R. Armstrong, Kayoko Nishiyama, John M. Berrisford, Ezra Peisach, Abhik Mukhopadhyay, G. Jawahar Swaminathan, Huanwang Yang, Minyu Chen, Catherine L. Lawson, Thomas J. Oldfield, Junko Sato, Zukang Feng, Helen M. Berman, Yumiko Kengaku, Chenghua Shao, Glen van Ginkel, Irina Persikova, John L. Markley, Genji Kurisu, Yasuyo Ikegawa, Jasmine Young, Pieter M. S. Hendrickx, Luigi Di Costanzo, Aleksandras Gutmanas, John D. Westbrook, Reiko Igarashi, Buvaneswari Coimbatore Narayanan, Li Chen, Eduardo Sanz-García, Vladimir Guranovic, Yu-He Liang, Haruki Nakamura, Gaurav Sahni, Sameer Velankar, Sanchayita Sen, Lihua Tan, Swanand Gore, Dimitris Dimitropoulos
Publikováno v:
Database
Database: The Journal of Biological Databases and Curation
PubMed Central
Database: The Journal of Biological Databases and Curation
PubMed Central
The Protein Data Bank (PDB) is the single global repository for experimentally determined 3D structures of biological macromolecules and their complexes with ligands. The worldwide PDB (wwPDB) is the international collaboration that manages the PDB a