and adenosine triphosphate by utilizing high-throughput virtual screening (HTVS) against the vast ZINC compound database (~17 million molecules) coupled with extensive molecular dynamics (MD) ...
High-throughput screening ... In particular, industry scientists have proprietary 'virtual screening' programs that can test millions of compounds without dipping a single pipet tip.
virtual high-throughput screening and de novo design of inhibitor scaffolds. Structure-based approaches to the identification of new inhibitors of both classical and novel bacterial targets will ...
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