Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2

Engineering & Materials Science

• Amines 16%
• Assays 15%
• Binding sites 19%
• Computer simulation 37%
• Drug Delivery Systems 100%
• Membranes 11%
• Molecular dynamics 76%
• Molecules 13%
• Pharmaceutical Chemistry 23%
• Protons 16%
• Screening 12%
• Throughput 9%
• Viruses 79%

Medicine & Life Sciences

• Amantadine 26%
• Amines 10%
• Antiviral Agents 8%
• Binding Sites 7%
• Drug Delivery Systems 67%
• Influenza A virus 75%
• Membranes 5%
• Molecular Dynamics Simulation 75%
• Mutation 16%
• Pharmaceutical Chemistry 13%
• Pharmaceutical Preparations 28%
• Pressure 6%
• Protons 9%
• Rimantadine 15%
• Viruses 19%

Chemical Compounds

• Amantadine 41%
• Amine 8%
• Antiviral Drug 18%
• Binding Site 9%
• Chemistry 7%
• Drug 35%
• Drug Target 15%
• High Throughput Screening 14%
• Molecular Dynamics 50%
• Mutation 34%
• Pressure 7%
• Probe 8%
• Proton 8%
• Reduction 6%
• Rimantadine 22%
• Simulation 42%