Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets

• Main Authors: Vishwesh Venkatraman (Author), Thomas H. Colligan (Author), George T. Lesica (Author), Daniel R. Olson (Author), Jeremiah Gaiser (Author), Conner J. Copeland (Author), Travis J. Wheeler (Author), Amitava Roy (Author)
• Format: Book
• Published: Frontiers Media S.A., 2022-04-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

The SARS-CoV2 pandemic has highlighted the importance of efficient and effective methods for identification of therapeutic drugs, and in particular has laid bare the need for methods that allow exploration of the full diversity of synthesizable small molecules. While classical high-throughput screen...