Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike protein

Medicine and Dentistry

• Receptor Binding 100%
• Protein 66%
• Severe Acute Respiratory Syndrome Coronavirus 2 50%
• Virus 33%
• Coronavirinae 33%
• Diseases 33%
• Chemotherapeutic Agent 16%
• Infection 16%
• COVID-19 16%
• Drug 16%
• Host Cell 16%
• Drug Repositioning 16%
• Dipeptidyl Carboxypeptidase 16%
• Cefsulodin 16%
• In Silico 16%
• Cephalosporins 16%
• Syndrome 16%
• Heterodimer 16%
• Druggability 16%

Biochemistry, Genetics and Molecular Biology

• Protein 66%
• Spike 50%
• Binding Domain 50%
• Molecular Dynamics 33%
• Coronavirinae 33%
• Virus 33%
• Small Molecule 33%
• Angiotensin-Converting Enzyme 16%
• Electric Potential 16%
• Computer Model 16%
• Surface Property 16%
• Dynamics 16%
• Host 16%
• Antibiotic 16%