"Toward Fully Automated High Performance Computing Drug Discovery: A ..."

Xiaohua Zhang, Sergio Ernesto Wong, Felice C. Lightstone (2014)

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DOI: 10.1021/CI4005145

access: closed

type: Journal Article

metadata version: 2023-08-31

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Xiaohua Zhang, Sergio Ernesto Wong, Felice C. Lightstone:
Toward Fully Automated High Performance Computing Drug Discovery: A Massively Parallel Virtual Screening Pipeline for Docking and Molecular Mechanics/Generalized Born Surface Area Rescoring to Improve Enrichment. J. Chem. Inf. Model. 54(1): 324-337 (2014)

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