Toward Fully Automated High Performance Computing Drug...

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

Zhang, Xiaohua, Wong, Sergio E., Lightstone, Felice C.
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Volume:
54
Language:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/ci4005145
Date:
January, 2014
File:
PDF, 1.68 MB
english, 2014
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