D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions
Gathiaka, Symon, Liu, Shuai, Chiu, Michael, Yang, Huanwang, Stuckey, Jeanne A., Kang, You Na, Delproposto, Jim, Kubish, Ginger, Dunbar, James B., Carlson, Heather A., Burley, Stephen K., Walters, W. Patrick, Amaro, Rommie E., Feher, Victoria A., Gilson, Michael K.
Published in Journal of computer-aided molecular design (01.09.2016)
Published in Journal of computer-aided molecular design (01.09.2016)
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Journal Article
CSAR Benchmark Exercise 2011–2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series
Damm-Ganamet, Kelly L, Smith, Richard D, Dunbar, James B, Stuckey, Jeanne A, Carlson, Heather A
Published in Journal of chemical information and modeling (26.08.2013)
Published in Journal of chemical information and modeling (26.08.2013)
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Journal Article
Protein flexibility and drug design: how to hit a moving target
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Book Review
Journal Article
CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes
Dunbar, James B, Smith, Richard D, Yang, Chao-Yie, Ung, Peter Man-Un, Lexa, Katrina W, Khazanov, Nickolay A, Stuckey, Jeanne A, Wang, Shaomeng, Carlson, Heather A
Published in Journal of chemical information and modeling (26.09.2011)
Published in Journal of chemical information and modeling (26.09.2011)
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Journal Article
CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions
Smith, Richard D, Dunbar, James B, Ung, Peter Man-Un, Esposito, Emilio X, Yang, Chao-Yie, Wang, Shaomeng, Carlson, Heather A
Published in Journal of chemical information and modeling (26.09.2011)
Published in Journal of chemical information and modeling (26.09.2011)
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Journal Article
Exploring Experimental Sources of Multiple Protein Conformations in Structure-Based Drug Design
Damm, Kelly L, Carlson, Heather A
Published in Journal of the American Chemical Society (04.07.2007)
Published in Journal of the American Chemical Society (04.07.2007)
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Journal Article
CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys
Dunbar, James B, Smith, Richard D, Damm-Ganamet, Kelly L, Ahmed, Aqeel, Esposito, Emilio Xavier, Delproposto, James, Chinnaswamy, Krishnapriya, Kang, You-Na, Kubish, Ginger, Gestwicki, Jason E, Stuckey, Jeanne A, Carlson, Heather A
Published in Journal of chemical information and modeling (26.08.2013)
Published in Journal of chemical information and modeling (26.08.2013)
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Journal Article
Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge
Xiong, Zhaoping, Jeon, Minji, Allaway, Robert J, Kang, Jaewoo, Park, Donghyeon, Lee, Jinhyuk, Jeon, Hwisang, Ko, Miyoung, Jiang, Hualiang, Zheng, Mingyue, Tan, Aik Choon, Guo, Xindi, Dang, Kristen K, Tropsha, Alex, Hecht, Chana, Das, Tirtha K, Carlson, Heather A, Abagyan, Ruben, Guinney, Justin, Schlessinger, Avner, Cagan, Ross
Published in PLoS computational biology (01.09.2021)
Published in PLoS computational biology (01.09.2021)
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Journal Article
Mutagenesis Reveals the Complex Relationships between ATPase Rate and the Chaperone Activities of Escherichia coli Heat Shock Protein 70 (Hsp70/DnaK)
Chang, Lyra, Thompson, Andrea D., Ung, Peter, Carlson, Heather A., Gestwicki, Jason E.
Published in The Journal of biological chemistry (09.07.2010)
Published in The Journal of biological chemistry (09.07.2010)
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Journal Article
Binding of a Small Molecule at a Protein–Protein Interface Regulates the Chaperone Activity of Hsp70–Hsp40
Wisén, Susanne, Bertelsen, Eric B, Thompson, Andrea D, Patury, Srikanth, Ung, Peter, Chang, Lyra, Evans, Christopher G, Walter, Gladis M, Wipf, Peter, Carlson, Heather A, Brodsky, Jeffrey L, Zuiderweg, Erik R. P, Gestwicki, Jason E
Published in ACS chemical biology (18.06.2010)
Published in ACS chemical biology (18.06.2010)
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Journal Article