Benchmarking the Ability of Common Docking Programs to Correctly Reproduce and Score Binding Modes in SARS-CoV-2 Protease Mpro

Keyphrases

• Binding Mode 100%
• Docking Program 100%
• Mpro 100%
• SARS-CoV-2 Main Protease 100%
• Gliding 40%
• COVID-19 20%
• Low Energy 20%
• Covalently Bound 20%
• Free Energy Perturbation 20%
• Drug Target 20%
• In Silico 20%
• Coronavirus 20%
• Human Homolog 20%
• Virtual Screening 20%
• AutoDock 20%
• In Silico Screening 20%
• AutoDock Vina 20%
• Root Mean Square Deviation 20%
• Computational Docking 20%
• Docking Technique 20%
• Coronavirus SARS-CoV-2 20%
• Virtual Docking 20%
• Binding Score 20%
• Main Protease Mpro 20%
• Ligand-free 20%
• Predict-correct 20%
• Enzyme Drug Target 20%
• Comprehensive Strategy 20%

Medicine and Dentistry

• Proteinase 100%
• In Silico 100%
• Severe Acute Respiratory Syndrome Coronavirus 2 100%
• AutoDock 100%
• COVID-19 50%
• Drug Delivery System 50%
• Ligand Binding 50%
• Virtual Screening 50%
• Coronavirinae 50%
• Coronavirus 50%