Towards fully automated high performance computing drug discovery: A massively parallel virtual screening pipeline for docking and MM/GBSA rescoring to improve enrichment
Journal Article
·
· Journal of Chemical Information and Modeling, na, na, December 20, 2013, pp. 324-337
OSTI ID:1212840
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- DE-AC52-07NA27344
- OSTI ID:
- 1212840
- Report Number(s):
- LLNL-JRNL-642881
- Journal Information:
- Journal of Chemical Information and Modeling, na, na, December 20, 2013, pp. 324-337, Journal Name: Journal of Chemical Information and Modeling, na, na, December 20, 2013, pp. 324-337
- Country of Publication:
- United States
- Language:
- English
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