This article presents a comprehensive and user-friendly protocol for building and rigorously evaluating target-specific machine-learning scoring functions (SFs) for structure-based virtual screening (SBVS) via…
This article presents a comprehensive and user-friendly protocol for building and rigorously evaluating target-specific machine-learning scoring functions (SFs) for structure-based virtual screening (SBVS) via…
This article discusses the challenges of dealing with virtual libraries of gigascale and terrascale, which contain millions of potential hits and thousands of potential…
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