DOE OSTI · code-9024
Conveyor LC
Abstract
ConveyorLC is a high throughput virtual screening pipeline for in-silico screening of virtual compound databases using high performance computing. The pipeline mainly includes four modules: receptor/target preparation, ligand preparation, VinaLC docking calculation, and molecular mechanics/generalized Born surface area rescoring.
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Zhang, Xiaohua, Lightstone, FeliceC., Wong, SergioE.. 2014-09-28. Conveyor LC. https://doi.org/10.11578/dc.20180307.1
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