FRED Pose Prediction and Virtual Screening Accuracy

• Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death

  2021 Computational and Structural Biotechnology Journal article Neuroscience Genetic Neurodegenerative Diseases Open access

  19

  citations
• Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death

  2021 bioRxiv (Cold Spring Harbor Laboratory) preprint Neuroscience Genetic Neurodegenerative Diseases Open access

  0

  citations
• A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics

  2021 ACS Pharmacology & Translational Science article Computer Science Computational Drug Discovery Methods Open access

  62

  citations
• Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen

  2021 ACS Pharmacology & Translational Science article Medicine SARS-CoV-2 and COVID-19 Research Open access cited by 8 patents

  160

  citations
• Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease

  2021 Molecules article Computer Science Computational Drug Discovery Methods Open access

  21

  citations
• A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics

  2020 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access

  5

  citations

6 results